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N4-Benzoyl-2′-deoxycytidine - 98%, high purity , CAS No.4836-13-9

COA

Grade & Purity:

≥98%

Cas Number: 4836-13-9
Molecular Weight: 331.32
Beilstein Registry Number: 626967
EC Number: 225-421-9
MDL number: MFCD00010115
PubChem CID: 9797617
PubChem SID: 504764860

In stock

Item Number

B119532

Grouped product items
SKU	Size	Availability	Price
B119532-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$14.90
B119532-250mg	250mg	3	$27.90
B119532-1g	1g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$78.90
B119532-5g	5g	1	$311.90
B119532-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,402.90

View related series

Nucleosides (90) Pyrimidines (539) Six-Membered Heterocyclic Compounds (1696)

Basic Description

Synonyms	AKOS015839058 \| BP-58859 \| T70955 \| NBz-2'-dC \| N4-Benzoyl-2 inverted exclamation marka-deoxycytidine \| N4 -Benzoyl-2'-deoxycytidine \| N-Benzoyl-2'-deoxy-cytidine \| N-Benzoyl-2-Deoxy-Cytidine \| MFCD00010115 \| A827518 \| SCHEMBL264065 \| AC-32161 \| N4-Benzoy
Specifications & Purity	≥98%
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Nucleosides, nucleotides, and analogues
  - Class Pyrimidine nucleosides
    - Subclass Pyrimidine 2'-deoxyribonucleosides

Kingdom	Organic compounds
Superclass	Nucleosides, nucleotides, and analogues
Class	Pyrimidine nucleosides
Subclass	Pyrimidine 2'-deoxyribonucleosides
Intermediate Tree Nodes	Not available
Direct Parent	Pyrimidine 2'-deoxyribonucleosides
Alternative Parents	Benzamides Benzoyl derivatives Pyrimidones Imidolactams Hydropyrimidines Oxolanes Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols Oxacyclic compounds Azacyclic compounds Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyrimidine 2'-deoxyribonucleoside - Benzamide - Benzoic acid or derivatives - Benzoyl - Pyrimidone - Monocyclic benzene moiety - Hydropyrimidine - Imidolactam - Benzenoid - Pyrimidine - Heteroaromatic compound - Oxolane - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Oxacycle - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Primary alcohol - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyrimidine 2'-deoxyribonucleosides. These are compounds consisting of a pyrimidine linked to a ribose which lacks a hydroxyl group at position 2.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504764860
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504764860
IUPAC Name	N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
INCHI	InChI=1S/C16H17N3O5/c20-9-12-11(21)8-14(24-12)19-7-6-13(18-16(19)23)17-15(22)10-4-2-1-3-5-10/h1-7,11-12,14,20-21H,8-9H2,(H,17,18,22,23)/t11-,12+,14+/m0/s1
InChIKey	MPSJHJFNKMUKCN-OUCADQQQSA-N
Smiles	C1C(C(OC1N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)CO)O
Isomeric SMILES	C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)CO)O
WGK Germany	3
Molecular Weight	331.32
Beilstein	626967
Reaxy-Rn	44686306
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=44686306&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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Lot Number	Certificate Type	Date	Item
J1716051	Certificate of Analysis	May 12, 2025	B119532

Chemical and Physical Properties

Sensitivity	Hygroscopic
Specific Rotation[α]	+87.0 to +93.0°(C=0.25, MeOH)
Melt Point(°C)	207°C
Molecular Weight	331.320 g/mol
XLogP3	0.700
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	331.117 Da
Monoisotopic Mass	331.117 Da
Topological Polar Surface Area	111.000 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	556.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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