A3881/0164957
TL;DR: A3881/0164957 (CAS 728036-61-1) is a chemical compound with molecular formula C19H17FN6O3S2 and molecular weight 460.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
Also Known As: A3881/0164957, 2-[7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide, 2-{[7-(2-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide, 2-((7-(2-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)-N-(thiazol-2-yl)acetamide
| Molecular Formula | C19H17FN6O3S2 |
|---|---|
| Molecular Weight | 460.08 g/mol |
| LogP | 1.8084 |
| Topological Polar Surface Area | 103.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 460.07877 |
| Heavy Atoms | 31 |
| Complexity | 1390.3966 |
Chemical Identifiers
| CAS Number | 728036-61-1 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)NC3=NC=CS3)CC4=CC=CC=C4F |
Product Overview
A3881/0164957 (CAS 728036-61-1), with molecular formula C19H17FN6O3S2 and molecular weight 460.08 g/mol. IUPAC: 2-[7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide.
Chemical Property Profile of A3881/0164957
Property Insights of A3881/0164957
The XLogP value of 1.8084 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3881/0164957. The TPSA of 103.81 Ų falls within the moderate polarity range, balancing permeability and solubility for A3881/0164957. Following Lipinski's Rule of Five, A3881/0164957 has 1 hydrogen bond donor(s) and 7 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 A3881/0164957?
The CAS number of A3881/0164957 is 728036-61-1.
What is the molecular formula of A3881/0164957?
The molecular formula of A3881/0164957 is C19H17FN6O3S2.
What is the molecular weight of A3881/0164957?
The molecular weight of A3881/0164957 is 460.08 g/mol.
Where can I buy A3881/0164957?
You can request a quote for A3881/0164957 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3881/0164957?
Yes, KEHONG BIO provides custom synthesis services for A3881/0164957 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.