AB00685850-01
TL;DR: AB00685850-01 (CAS 864858-69-5) is a chemical compound with molecular formula C26H20N4O2S and molecular weight 452.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-phenylquinoline-4-carboxamide
Also Known As: AB00685850-01, F1298-0867, N-(6-acetyl-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-phenylquinoline-4-carboxamide, N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-phenylquinoline-4-carboxamide, N-{6-acetyl-3-cyano-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl}-2-phenylquinoline-4-carboxamide
| Molecular Formula | C26H20N4O2S |
|---|---|
| Molecular Weight | 452.13 g/mol |
| LogP | 4.99188 |
| Topological Polar Surface Area | 86.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 452.1307 |
| Heavy Atoms | 33 |
| Complexity | 1436.2018 |
Chemical Identifiers
| CAS Number | 864858-69-5 |
|---|---|
| SMILES | CC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5 |
Product Overview
AB00685850-01 (CAS 864858-69-5), with molecular formula C26H20N4O2S and molecular weight 452.13 g/mol. IUPAC: N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-phenylquinoline-4-carboxamide.
Chemical Property Profile of AB00685850-01
Property Insights of AB00685850-01
The XLogP value of 4.99188 indicates that AB00685850-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.09 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00685850-01. Following Lipinski's Rule of Five, AB00685850-01 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 AB00685850-01?
The CAS number of AB00685850-01 is 864858-69-5.
What is the molecular formula of AB00685850-01?
The molecular formula of AB00685850-01 is C26H20N4O2S.
What is the molecular weight of AB00685850-01?
The molecular weight of AB00685850-01 is 452.13 g/mol.
Where can I buy AB00685850-01?
You can request a quote for AB00685850-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685850-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685850-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.