N-Benzoyl-2'-deoxycytidine 3'-benzoate
TL;DR: N-Benzoyl-2'-deoxycytidine 3'-benzoate (CAS 51549-49-6) is a chemical compound with molecular formula C23H21N3O6 and molecular weight 435.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] benzoate
Also Known As: N4,3'-O-Dibenzoyl-2'-deoxycytidine, N-Benzoyl-2'-deoxycytidine 3'-benzoate, n-benzoyl-3'-o-benzoyl-2'-deoxycytidine, N4,3'-O-Dibenzoyl-2'-deoxy-D-cytidine, 3'-O-,N6-dibenzoyl-2'-deoxy-cytidine
| Molecular Formula | C23H21N3O6 |
|---|---|
| Molecular Weight | 435.14 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 435.14304 |
| Heavy Atoms | 32 |
| Complexity | 770.0 |
Chemical Identifiers
| CAS Number | 51549-49-6 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)CO)OC(=O)C4=CC=CC=C4 |
| InChIKey | FRCSORXRCWKCJL-NLWGTHIKSA-N |
Product Overview
N-Benzoyl-2'-deoxycytidine 3'-benzoate (CAS 51549-49-6), with molecular formula C23H21N3O6 and molecular weight 435.14 g/mol. IUPAC: [(2R,3S,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] benzoate.
Chemical Property Profile of N-Benzoyl-2'-deoxycytidine 3'-benzoate
Property Insights of N-Benzoyl-2'-deoxycytidine 3'-benzoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Benzoyl-2'-deoxycytidine 3'-benzoate. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Benzoyl-2'-deoxycytidine 3'-benzoate. Following Lipinski's Rule of Five, N-Benzoyl-2'-deoxycytidine 3'-benzoate has 2 hydrogen bond donor(s) and 6 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 3'-benzoate?
The CAS number of N-Benzoyl-2'-deoxycytidine 3'-benzoate is 51549-49-6.
What is the molecular formula of N-Benzoyl-2'-deoxycytidine 3'-benzoate?
The molecular formula of N-Benzoyl-2'-deoxycytidine 3'-benzoate is C23H21N3O6.
What is the molecular weight of N-Benzoyl-2'-deoxycytidine 3'-benzoate?
The molecular weight of N-Benzoyl-2'-deoxycytidine 3'-benzoate is 435.14 g/mol.
Where can I buy N-Benzoyl-2'-deoxycytidine 3'-benzoate?
You can request a quote for N-Benzoyl-2'-deoxycytidine 3'-benzoate 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 3'-benzoate?
Yes, KEHONG BIO provides custom synthesis services for N-Benzoyl-2'-deoxycytidine 3'-benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.