ChemDiv3_008061
TL;DR: ChemDiv3_008061 (CAS 687563-92-4) is a chemical compound with molecular formula C17H13ClN4O2S3 and molecular weight 435.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(4-chlorophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
Also Known As: ChemDiv3_008061, IDI1_025971, AB00439280-03, BRD-K78476856-001-01-7, F0579-0638
| Molecular Formula | C17H13ClN4O2S3 |
|---|---|
| Molecular Weight | 435.99 g/mol |
| LogP | 3.7214 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 435.98892 |
| Heavy Atoms | 27 |
| Complexity | 1035.5773 |
Chemical Identifiers
| CAS Number | 687563-92-4 |
|---|---|
| SMILES | C1CSC2=C1N=C(N(C2=O)C3=CC=C(C=C3)Cl)SCC(=O)NC4=NC=CS4 |
Product Overview
ChemDiv3_008061 (CAS 687563-92-4), with molecular formula C17H13ClN4O2S3 and molecular weight 435.99 g/mol. IUPAC: 2-[[3-(4-chlorophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
Chemical Property Profile of ChemDiv3_008061
Property Insights of ChemDiv3_008061
The XLogP value of 3.7214 indicates that ChemDiv3_008061 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 ChemDiv3_008061. Following Lipinski's Rule of Five, ChemDiv3_008061 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 ChemDiv3_008061?
The CAS number of ChemDiv3_008061 is 687563-92-4.
What is the molecular formula of ChemDiv3_008061?
The molecular formula of ChemDiv3_008061 is C17H13ClN4O2S3.
What is the molecular weight of ChemDiv3_008061?
The molecular weight of ChemDiv3_008061 is 435.99 g/mol.
Where can I buy ChemDiv3_008061?
You can request a quote for ChemDiv3_008061 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_008061?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_008061 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.