N-Benzoyl-2'-deoxycytidine
TL;DR: N-Benzoyl-2'-deoxycytidine (CAS 4836-13-9) is a chemical compound with molecular formula C16H17N3O5 and molecular weight 331.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
Also Known As: N-Benzoyl-2'-deoxycytidine, Cytidine, N-benzoyl-2'-deoxy-, N-Benzoyl-2'-deoxy-cytidine, J2.107.614G, N-[1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
| Molecular Formula | C16H17N3O5 |
|---|---|
| Molecular Weight | 331.12 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.11682 |
| Heavy Atoms | 24 |
| Complexity | 556.0 |
Chemical Identifiers
| CAS Number | 4836-13-9 |
|---|---|
| SMILES | C1[C@H]([C@@H](O[C@@H]1N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)CO)O |
| InChIKey | MPSJHJFNKMUKCN-DYEKYZERSA-N |
Product Overview
N-Benzoyl-2'-deoxycytidine (CAS 4836-13-9), with molecular formula C16H17N3O5 and molecular weight 331.12 g/mol. IUPAC: N-[1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide.
Chemical Property Profile of N-Benzoyl-2'-deoxycytidine
Property Insights of N-Benzoyl-2'-deoxycytidine
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Benzoyl-2'-deoxycytidine. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Benzoyl-2'-deoxycytidine. Following Lipinski's Rule of Five, N-Benzoyl-2'-deoxycytidine has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-Benzoyl-2'-deoxycytidine?
The CAS number of N-Benzoyl-2'-deoxycytidine is 4836-13-9.
What is the molecular formula of N-Benzoyl-2'-deoxycytidine?
The molecular formula of N-Benzoyl-2'-deoxycytidine is C16H17N3O5.
What is the molecular weight of N-Benzoyl-2'-deoxycytidine?
The molecular weight of N-Benzoyl-2'-deoxycytidine is 331.12 g/mol.
Where can I buy N-Benzoyl-2'-deoxycytidine?
You can request a quote for N-Benzoyl-2'-deoxycytidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Benzoyl-2'-deoxycytidine?
Yes, KEHONG BIO provides custom synthesis services for N-Benzoyl-2'-deoxycytidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.