AP-064/40656955
TL;DR: AP-064/40656955 (CAS 440088-45-9) is a chemical compound with molecular formula C22H26N2O4S and molecular weight 414.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[6-methyl-2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]benzoate
Also Known As: AP-064/40656955, ethyl 4-({[6-methyl-2-(propionylamino)-4,5,6,7-tetrahydro-1-benzothien-3-yl]carbonyl}amino)benzoate, Ethyl 4-[[[4,5,6,7-tetrahydro-6-methyl-2-[(1-oxopropyl)amino]benzo[b]thien-3-yl]carbonyl]amino]benzoate, ethyl 4-[[6-methyl-2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]benzoate, Ethyl 4-[(6-methyl-2-propanamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]benzoate
| Molecular Formula | C22H26N2O4S |
|---|---|
| Molecular Weight | 414.16 g/mol |
| LogP | 4.6504 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.16132 |
| Heavy Atoms | 29 |
| Complexity | 917.6386 |
Chemical Identifiers
| CAS Number | 440088-45-9 |
|---|---|
| SMILES | CCC(=O)NC1=C(C2=C(S1)CC(CC2)C)C(=O)NC3=CC=C(C=C3)C(=O)OCC |
Product Overview
AP-064/40656955 (CAS 440088-45-9), with molecular formula C22H26N2O4S and molecular weight 414.16 g/mol. IUPAC: ethyl 4-[[6-methyl-2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]benzoate.
Chemical Property Profile of AP-064/40656955
Property Insights of AP-064/40656955
The XLogP value of 4.6504 indicates that AP-064/40656955 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-064/40656955. Following Lipinski's Rule of Five, AP-064/40656955 has 2 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 AP-064/40656955?
The CAS number of AP-064/40656955 is 440088-45-9.
What is the molecular formula of AP-064/40656955?
The molecular formula of AP-064/40656955 is C22H26N2O4S.
What is the molecular weight of AP-064/40656955?
The molecular weight of AP-064/40656955 is 414.16 g/mol.
Where can I buy AP-064/40656955?
You can request a quote for AP-064/40656955 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-064/40656955?
Yes, KEHONG BIO provides custom synthesis services for AP-064/40656955 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.