AN-465/13669026
TL;DR: AN-465/13669026 (CAS 353501-29-8) is a chemical compound with molecular formula C15H13ClN4O4S and molecular weight 380.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione
Also Known As: AN-465/13669026, 7-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1,3-dimethyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione, 7-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione, 7-[(6-chloro(2H-benzo[d]1,3-dioxolen-5-yl))methyl]-1,3-dimethyl-8-sulfanyl-1,3 ,7-trihydropurine-2,6-dione, 7-[(6-CHLORO-2H-1,3-BENZODIOXOL-5-YL)METHYL]-1,3-DIMETHYL-8-SULFANYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE
| Molecular Formula | C15H13ClN4O4S |
|---|---|
| Molecular Weight | 380.03 g/mol |
| LogP | 1.52669 |
| Topological Polar Surface Area | 83.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 380.0346 |
| Heavy Atoms | 25 |
| Complexity | 1203.4227 |
Chemical Identifiers
| CAS Number | 353501-29-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=S)N2)CC3=CC4=C(C=C3Cl)OCO4 |
Product Overview
AN-465/13669026 (CAS 353501-29-8), with molecular formula C15H13ClN4O4S and molecular weight 380.03 g/mol. IUPAC: 7-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione.
Chemical Property Profile of AN-465/13669026
Property Insights of AN-465/13669026
The XLogP value of 1.52669 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-465/13669026. The TPSA of 83.18 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-465/13669026. Following Lipinski's Rule of Five, AN-465/13669026 has 1 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 AN-465/13669026?
The CAS number of AN-465/13669026 is 353501-29-8.
What is the molecular formula of AN-465/13669026?
The molecular formula of AN-465/13669026 is C15H13ClN4O4S.
What is the molecular weight of AN-465/13669026?
The molecular weight of AN-465/13669026 is 380.03 g/mol.
Where can I buy AN-465/13669026?
You can request a quote for AN-465/13669026 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-465/13669026?
Yes, KEHONG BIO provides custom synthesis services for AN-465/13669026 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.