AP-064/40656936
TL;DR: AP-064/40656936 (CAS 491869-66-0) is a chemical compound with molecular formula C21H25N3O6S and molecular weight 447.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-acetamido-3-[(2,5-dimethoxyphenyl)carbamoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
Also Known As: AP-064/40656936, ethyl 2-(acetylamino)-3-[(2,5-dimethoxyanilino)carbonyl]-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-carboxylate, ethyl 2-acetamido-3-[(2,5-dimethoxyphenyl)carbamoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate, ethyl 2-acetamido-3-((2,5-dimethoxyphenyl)carbamoyl)-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate
| Molecular Formula | C21H25N3O6S |
|---|---|
| Molecular Weight | 447.15 g/mol |
| LogP | 3.4906 |
| Topological Polar Surface Area | 106.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 447.1464 |
| Heavy Atoms | 31 |
| Complexity | 1003.2416 |
Chemical Identifiers
| CAS Number | 491869-66-0 |
|---|---|
| SMILES | CCOC(=O)N1CCC2=C(C1)SC(=C2C(=O)NC3=C(C=CC(=C3)OC)OC)NC(=O)C |
Product Overview
AP-064/40656936 (CAS 491869-66-0), with molecular formula C21H25N3O6S and molecular weight 447.15 g/mol. IUPAC: ethyl 2-acetamido-3-[(2,5-dimethoxyphenyl)carbamoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.
Chemical Property Profile of AP-064/40656936
Property Insights of AP-064/40656936
The XLogP value of 3.4906 indicates that AP-064/40656936 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.2 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-064/40656936. Following Lipinski's Rule of Five, AP-064/40656936 has 2 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 AP-064/40656936?
The CAS number of AP-064/40656936 is 491869-66-0.
What is the molecular formula of AP-064/40656936?
The molecular formula of AP-064/40656936 is C21H25N3O6S.
What is the molecular weight of AP-064/40656936?
The molecular weight of AP-064/40656936 is 447.15 g/mol.
Where can I buy AP-064/40656936?
You can request a quote for AP-064/40656936 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-064/40656936?
Yes, KEHONG BIO provides custom synthesis services for AP-064/40656936 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.