AP-064/40656789
TL;DR: AP-064/40656789 (CAS 491869-65-9) is a chemical compound with molecular formula C27H29N3O6S and molecular weight 523.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[(2,4-dimethoxyphenyl)carbamoyl]-2-[(2-phenylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
Also Known As: AP-064/40656789, ethyl 3-[(2,4-dimethoxyanilino)carbonyl]-2-[(phenylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-carboxylate, ethyl 3-[(2,4-dimethoxyphenyl)carbamoyl]-2-[(2-phenylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
| Molecular Formula | C27H29N3O6S |
|---|---|
| Molecular Weight | 523.18 g/mol |
| LogP | 4.7134 |
| Topological Polar Surface Area | 106.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 523.17773 |
| Heavy Atoms | 37 |
| Complexity | 1290.7936 |
Chemical Identifiers
| CAS Number | 491869-65-9 |
|---|---|
| SMILES | CCOC(=O)N1CCC2=C(C1)SC(=C2C(=O)NC3=C(C=C(C=C3)OC)OC)NC(=O)CC4=CC=CC=C4 |
Product Overview
AP-064/40656789 (CAS 491869-65-9), with molecular formula C27H29N3O6S and molecular weight 523.18 g/mol. IUPAC: ethyl 3-[(2,4-dimethoxyphenyl)carbamoyl]-2-[(2-phenylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.
Chemical Property Profile of AP-064/40656789
Property Insights of AP-064/40656789
The XLogP value of 4.7134 indicates that AP-064/40656789 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-064/40656789. Following Lipinski's Rule of Five, AP-064/40656789 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AP-064/40656789?
The CAS number of AP-064/40656789 is 491869-65-9.
What is the molecular formula of AP-064/40656789?
The molecular formula of AP-064/40656789 is C27H29N3O6S.
What is the molecular weight of AP-064/40656789?
The molecular weight of AP-064/40656789 is 523.18 g/mol.
Where can I buy AP-064/40656789?
You can request a quote for AP-064/40656789 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-064/40656789?
Yes, KEHONG BIO provides custom synthesis services for AP-064/40656789 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.