AB00668696-01
TL;DR: AB00668696-01 (CAS 686770-62-7) is a chemical compound with molecular formula C17H14N4O2S3 and molecular weight 402.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
Also Known As: AB00668696-01, F0579-0038, 2-[(3,4,6,7-Tetrahydro-4-oxo-3-phenylthieno[3,2-d]pyrimidin-2-yl)thio]-N-2-thiazolylacetamide, 2-((4-oxo-3-phenyl-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(thiazol-2-yl)acetamide, 2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
| Molecular Formula | C17H14N4O2S3 |
|---|---|
| Molecular Weight | 402.03 g/mol |
| LogP | 3.068 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.0279 |
| Heavy Atoms | 26 |
| Complexity | 987.2426 |
Chemical Identifiers
| CAS Number | 686770-62-7 |
|---|---|
| SMILES | C1CSC2=C1N=C(N(C2=O)C3=CC=CC=C3)SCC(=O)NC4=NC=CS4 |
Product Overview
AB00668696-01 (CAS 686770-62-7), with molecular formula C17H14N4O2S3 and molecular weight 402.03 g/mol. IUPAC: 2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
Chemical Property Profile of AB00668696-01
Property Insights of AB00668696-01
The XLogP value of 3.068 indicates that AB00668696-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.88 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00668696-01. Following Lipinski's Rule of Five, AB00668696-01 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 AB00668696-01?
The CAS number of AB00668696-01 is 686770-62-7.
What is the molecular formula of AB00668696-01?
The molecular formula of AB00668696-01 is C17H14N4O2S3.
What is the molecular weight of AB00668696-01?
The molecular weight of AB00668696-01 is 402.03 g/mol.
Where can I buy AB00668696-01?
You can request a quote for AB00668696-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668696-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668696-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.