AN-465/15280031
TL;DR: AN-465/15280031 (CAS 428839-56-9) is a chemical compound with molecular formula C17H16ClN7O2S and molecular weight 417.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(3-chlorophenyl)methyl]-1,3-dimethyl-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]purine-2,6-dione
Also Known As: AN-465/15280031, AB00109843-01, 7-[(3-chlorophenyl)methyl]-1,3-dimethyl-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]purine-2,6-dione, 7-(3-chlorobenzyl)-1,3-dimethyl-8-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione, 7-[(3-CHLOROPHENYL)METHYL]-1,3-DIMETHYL-8-[(4-METHYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE
| Molecular Formula | C17H16ClN7O2S |
|---|---|
| Molecular Weight | 417.08 g/mol |
| LogP | 1.4151 |
| Topological Polar Surface Area | 92.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.07748 |
| Heavy Atoms | 28 |
| Complexity | 1317.5226 |
Chemical Identifiers
| CAS Number | 428839-56-9 |
|---|---|
| SMILES | CN1C=NN=C1SC2=NC3=C(N2CC4=CC(=CC=C4)Cl)C(=O)N(C(=O)N3C)C |
Product Overview
AN-465/15280031 (CAS 428839-56-9), with molecular formula C17H16ClN7O2S and molecular weight 417.08 g/mol. IUPAC: 7-[(3-chlorophenyl)methyl]-1,3-dimethyl-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]purine-2,6-dione.
Chemical Property Profile of AN-465/15280031
Property Insights of AN-465/15280031
The XLogP value of 1.4151 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-465/15280031. The TPSA of 92.53 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-465/15280031. Following Lipinski's Rule of Five, AN-465/15280031 has 0 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 AN-465/15280031?
The CAS number of AN-465/15280031 is 428839-56-9.
What is the molecular formula of AN-465/15280031?
The molecular formula of AN-465/15280031 is C17H16ClN7O2S.
What is the molecular weight of AN-465/15280031?
The molecular weight of AN-465/15280031 is 417.08 g/mol.
Where can I buy AN-465/15280031?
You can request a quote for AN-465/15280031 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-465/15280031?
Yes, KEHONG BIO provides custom synthesis services for AN-465/15280031 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.