AB00668761-01
TL;DR: AB00668761-01 (CAS 687561-69-9) is a chemical compound with molecular formula C20H15F2N3O2S2 and molecular weight 431.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-fluorophenyl)-2-[[3-(4-fluorophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
Also Known As: AB00668761-01, F0579-0551, N-(3-fluorophenyl)-2-((3-(4-fluorophenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide, N-(3-fluorophenyl)-2-{[3-(4-fluorophenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide, N-(3-fluorophenyl)-2-[[3-(4-fluorophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
| Molecular Formula | C20H15F2N3O2S2 |
|---|---|
| Molecular Weight | 431.06 g/mol |
| LogP | 3.8897 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.05737 |
| Heavy Atoms | 29 |
| Complexity | 1133.5605 |
Chemical Identifiers
| CAS Number | 687561-69-9 |
|---|---|
| SMILES | C1CSC2=C1N=C(N(C2=O)C3=CC=C(C=C3)F)SCC(=O)NC4=CC(=CC=C4)F |
Product Overview
AB00668761-01 (CAS 687561-69-9), with molecular formula C20H15F2N3O2S2 and molecular weight 431.06 g/mol. IUPAC: N-(3-fluorophenyl)-2-[[3-(4-fluorophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide.
Chemical Property Profile of AB00668761-01
Property Insights of AB00668761-01
The XLogP value of 3.8897 indicates that AB00668761-01 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 AB00668761-01. Following Lipinski's Rule of Five, AB00668761-01 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 AB00668761-01?
The CAS number of AB00668761-01 is 687561-69-9.
What is the molecular formula of AB00668761-01?
The molecular formula of AB00668761-01 is C20H15F2N3O2S2.
What is the molecular weight of AB00668761-01?
The molecular weight of AB00668761-01 is 431.06 g/mol.
Where can I buy AB00668761-01?
You can request a quote for AB00668761-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668761-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668761-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.