AB00685854-01
TL;DR: AB00685854-01 (CAS 864858-82-2) is a chemical compound with molecular formula C20H15N3O4S and molecular weight 393.08 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)-4-oxochromene-3-carboxamide
Also Known As: AB00685854-01, F1298-0881, N-(6-acetyl-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-4-oxo-4H-chromene-3-carboxamide, N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-4-oxochromene-3-carboxamide, N-{6-acetyl-3-cyano-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl}-4-oxo-4H-chromene-3-carboxamide
| Molecular Formula | C20H15N3O4S |
|---|---|
| Molecular Weight | 393.08 g/mol |
| LogP | 2.88308 |
| Topological Polar Surface Area | 103.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 393.07834 |
| Heavy Atoms | 28 |
| Complexity | 1218.3943 |
Chemical Identifiers
| CAS Number | 864858-82-2 |
|---|---|
| SMILES | CC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=COC4=CC=CC=C4C3=O |
Product Overview
AB00685854-01 (CAS 864858-82-2), with molecular formula C20H15N3O4S and molecular weight 393.08 g/mol. IUPAC: N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-4-oxochromene-3-carboxamide.
Chemical Property Profile of AB00685854-01
Property Insights of AB00685854-01
The XLogP value of 2.88308 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00685854-01. The TPSA of 103.41 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00685854-01. Following Lipinski's Rule of Five, AB00685854-01 has 1 hydrogen bond donor(s) and 6 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 AB00685854-01?
The CAS number of AB00685854-01 is 864858-82-2.
What is the molecular formula of AB00685854-01?
The molecular formula of AB00685854-01 is C20H15N3O4S.
What is the molecular weight of AB00685854-01?
The molecular weight of AB00685854-01 is 393.08 g/mol.
Where can I buy AB00685854-01?
You can request a quote for AB00685854-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685854-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685854-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.