3'-Adenylic acid, N-benzoyl-2'-deoxy-, 2-chlorophenyl 2-cyanoethyl ester
TL;DR: 3'-Adenylic acid, N-benzoyl-2'-deoxy-, 2-chlorophenyl 2-cyanoethyl ester (CAS 69434-23-7) is a chemical compound with molecular formula C26H24ClN6O7P and molecular weight 598.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] (2-chlorophenyl) 2-cyanoethyl phosphate
Also Known As: 2-Chlorophenyl 2-cyanoethyl N-benzoyl-2'-deoxy-3'-adenylate, 3'-Adenylic acid, N-benzoyl-2'-deoxy-, 2-chlorophenyl 2-cyanoethyl ester, 3'-Adenylic acid, N-benzoyl-2'-deoxy-, 2-chlorophenyl 2-cyanoethylester, 3'-Adenylic acid, N-benzoyl-2'-deoxy-, 2-chlorophenyl 2-cyanoethyl ester, 3'-Adenylic acid,N-benzoyl-2'-deoxy-,2-chlorophenyl 2-cyanoethyl ester
| Molecular Formula | C26H24ClN6O7P |
|---|---|
| Molecular Weight | 598.11 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 171.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 11 |
| Exact Mass | 598.1133 |
| Heavy Atoms | 41 |
| Complexity | 983.0 |
Chemical Identifiers
| CAS Number | 69434-23-7 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)CO)OP(=O)(OCCC#N)OC5=CC=CC=C5Cl |
| InChIKey | NWCUSZKCOKMJIF-SDHLMFEHSA-N |
Product Overview
3'-Adenylic acid, N-benzoyl-2'-deoxy-, 2-chlorophenyl 2-cyanoethyl ester (CAS 69434-23-7), with molecular formula C26H24ClN6O7P and molecular weight 598.11 g/mol. IUPAC: [(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] (2-chlorophenyl) 2-cyanoethyl phosphate.
Chemical Property Profile of 3'-Adenylic acid, N-benzoyl-2'-deoxy-, 2-chlorophenyl 2-cyanoethyl ester
Property Insights of 3'-Adenylic acid, N-benzoyl-2'-deoxy-, 2-chlorophenyl 2-cyanoethyl ester
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-Adenylic acid, N-benzoyl-2'-deoxy-, 2-chlorophenyl 2-cyanoethyl ester. The TPSA of 171.0 Ų indicates high polarity, suggesting 3'-Adenylic acid, N-benzoyl-2'-deoxy-, 2-chlorophenyl 2-cyanoethyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3'-Adenylic acid, N-benzoyl-2'-deoxy-, 2-chlorophenyl 2-cyanoethyl ester has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3'-Adenylic acid, N-benzoyl-2'-deoxy-, 2-chlorophenyl 2-cyanoethyl ester?
The CAS number of 3'-Adenylic acid, N-benzoyl-2'-deoxy-, 2-chlorophenyl 2-cyanoethyl ester is 69434-23-7.
What is the molecular formula of 3'-Adenylic acid, N-benzoyl-2'-deoxy-, 2-chlorophenyl 2-cyanoethyl ester?
The molecular formula of 3'-Adenylic acid, N-benzoyl-2'-deoxy-, 2-chlorophenyl 2-cyanoethyl ester is C26H24ClN6O7P.
What is the molecular weight of 3'-Adenylic acid, N-benzoyl-2'-deoxy-, 2-chlorophenyl 2-cyanoethyl ester?
The molecular weight of 3'-Adenylic acid, N-benzoyl-2'-deoxy-, 2-chlorophenyl 2-cyanoethyl ester is 598.11 g/mol.
Where can I buy 3'-Adenylic acid, N-benzoyl-2'-deoxy-, 2-chlorophenyl 2-cyanoethyl ester?
You can request a quote for 3'-Adenylic acid, N-benzoyl-2'-deoxy-, 2-chlorophenyl 2-cyanoethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-Adenylic acid, N-benzoyl-2'-deoxy-, 2-chlorophenyl 2-cyanoethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3'-Adenylic acid, N-benzoyl-2'-deoxy-, 2-chlorophenyl 2-cyanoethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.