AB00490229-03
TL;DR: AB00490229-03 (CAS 864858-56-0) is a chemical compound with molecular formula C20H21N3O5S and molecular weight 415.12 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)-3,4,5-trimethoxybenzamide
Also Known As: AB00490229-03, N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3,4,5-trimethoxybenzamide, F1298-0851, N-(6-acetyl-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3,4,5-trimethoxybenzamide, N-{6-acetyl-3-cyano-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl}-3,4,5-trimethoxybenzamide
| Molecular Formula | C20H21N3O5S |
|---|---|
| Molecular Weight | 415.12 g/mol |
| LogP | 2.80248 |
| Topological Polar Surface Area | 100.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 415.12018 |
| Heavy Atoms | 29 |
| Complexity | 983.27124 |
Chemical Identifiers
| CAS Number | 864858-56-0 |
|---|---|
| SMILES | CC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC |
Product Overview
AB00490229-03 (CAS 864858-56-0), with molecular formula C20H21N3O5S and molecular weight 415.12 g/mol. IUPAC: N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3,4,5-trimethoxybenzamide.
Chemical Property Profile of AB00490229-03
Property Insights of AB00490229-03
The XLogP value of 2.80248 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00490229-03. The TPSA of 100.89 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00490229-03. Following Lipinski's Rule of Five, AB00490229-03 has 1 hydrogen bond donor(s) and 7 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 AB00490229-03?
The CAS number of AB00490229-03 is 864858-56-0.
What is the molecular formula of AB00490229-03?
The molecular formula of AB00490229-03 is C20H21N3O5S.
What is the molecular weight of AB00490229-03?
The molecular weight of AB00490229-03 is 415.12 g/mol.
Where can I buy AB00490229-03?
You can request a quote for AB00490229-03 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00490229-03?
Yes, KEHONG BIO provides custom synthesis services for AB00490229-03 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.