AB00668728-01
TL;DR: AB00668728-01 (CAS 686771-59-5) is a chemical compound with molecular formula C22H20FN3O2S2 and molecular weight 441.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-fluorophenyl)methyl]-2-[[3-(4-methylphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
Also Known As: AB00668728-01, F0579-0155, N-[(4-fluorophenyl)methyl]-2-{[3-(4-methylphenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide, N-(4-fluorobenzyl)-2-((4-oxo-3-(p-tolyl)-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide, N-[(4-fluorophenyl)methyl]-2-[[3-(4-methylphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
| Molecular Formula | C22H20FN3O2S2 |
|---|---|
| Molecular Weight | 441.10 g/mol |
| LogP | 3.73672 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 441.09808 |
| Heavy Atoms | 30 |
| Complexity | 1128.8599 |
Chemical Identifiers
| CAS Number | 686771-59-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(CCS3)N=C2SCC(=O)NCC4=CC=C(C=C4)F |
Product Overview
AB00668728-01 (CAS 686771-59-5), with molecular formula C22H20FN3O2S2 and molecular weight 441.10 g/mol. IUPAC: N-[(4-fluorophenyl)methyl]-2-[[3-(4-methylphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide.
Chemical Property Profile of AB00668728-01
Property Insights of AB00668728-01
The XLogP value of 3.73672 indicates that AB00668728-01 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 AB00668728-01. Following Lipinski's Rule of Five, AB00668728-01 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 AB00668728-01?
The CAS number of AB00668728-01 is 686771-59-5.
What is the molecular formula of AB00668728-01?
The molecular formula of AB00668728-01 is C22H20FN3O2S2.
What is the molecular weight of AB00668728-01?
The molecular weight of AB00668728-01 is 441.10 g/mol.
Where can I buy AB00668728-01?
You can request a quote for AB00668728-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668728-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668728-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.