AB00668790-01
TL;DR: AB00668790-01 (CAS 687564-32-5) is a chemical compound with molecular formula C21H15ClF3N3O2S2 and molecular weight 497.02 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-[3-(trifluoromethyl)phenyl]acetamide
Also Known As: AB00668790-01, 2-((3-(4-chlorophenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide, F0579-0657, 2-[[3-(4-chlorophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide, 2-{[3-(4-chlorophenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
| Molecular Formula | C21H15ClF3N3O2S2 |
|---|---|
| Molecular Weight | 497.02 g/mol |
| LogP | 5.2837 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 497.02463 |
| Heavy Atoms | 32 |
| Complexity | 1230.4401 |
Chemical Identifiers
| CAS Number | 687564-32-5 |
|---|---|
| SMILES | C1CSC2=C1N=C(N(C2=O)C3=CC=C(C=C3)Cl)SCC(=O)NC4=CC=CC(=C4)C(F)(F)F |
Product Overview
AB00668790-01 (CAS 687564-32-5), with molecular formula C21H15ClF3N3O2S2 and molecular weight 497.02 g/mol. IUPAC: 2-[[3-(4-chlorophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of AB00668790-01
Property Insights of AB00668790-01
The XLogP value of 5.2837 indicates that AB00668790-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00668790-01. Following Lipinski's Rule of Five, AB00668790-01 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00668790-01?
The CAS number of AB00668790-01 is 687564-32-5.
What is the molecular formula of AB00668790-01?
The molecular formula of AB00668790-01 is C21H15ClF3N3O2S2.
What is the molecular weight of AB00668790-01?
The molecular weight of AB00668790-01 is 497.02 g/mol.
Where can I buy AB00668790-01?
You can request a quote for AB00668790-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668790-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668790-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.