AE-641/40793093
TL;DR: AE-641/40793093 (CAS 433697-76-8) is a chemical compound with molecular formula C20H22ClNO4S and molecular weight 407.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AE-641/40793093, methyl 2-{[(4-chloro-2-methylphenoxy)acetyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-(2-(4-chloro-2-methylphenoxy)acetamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methyl 2-[2-(4-chloro-2-methylphenoxy)acetylamino]-6-methyl-4,5,6,7-tetrahydro benzo[b]thiophene-3-carboxylate
| Molecular Formula | C20H22ClNO4S |
|---|---|
| Molecular Weight | 407.10 g/mol |
| LogP | 4.63882 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 407.0958 |
| Heavy Atoms | 27 |
| Complexity | 877.10693 |
Chemical Identifiers
| CAS Number | 433697-76-8 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)COC3=C(C=C(C=C3)Cl)C |
Product Overview
AE-641/40793093 (CAS 433697-76-8), with molecular formula C20H22ClNO4S and molecular weight 407.10 g/mol. IUPAC: methyl 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of AE-641/40793093
Property Insights of AE-641/40793093
The XLogP value of 4.63882 indicates that AE-641/40793093 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-641/40793093. Following Lipinski's Rule of Five, AE-641/40793093 has 1 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 AE-641/40793093?
The CAS number of AE-641/40793093 is 433697-76-8.
What is the molecular formula of AE-641/40793093?
The molecular formula of AE-641/40793093 is C20H22ClNO4S.
What is the molecular weight of AE-641/40793093?
The molecular weight of AE-641/40793093 is 407.10 g/mol.
Where can I buy AE-641/40793093?
You can request a quote for AE-641/40793093 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-641/40793093?
Yes, KEHONG BIO provides custom synthesis services for AE-641/40793093 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.