AE-641/40790518
TL;DR: AE-641/40790518 (CAS 459152-40-0) is a chemical compound with molecular formula C20H22BrNO6S and molecular weight 483.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: AE-641/40790518, ethyl 2-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, ETHYL 2-(2-BROMO-3,4,5-TRIMETHOXYBENZAMIDO)-4H,5H,6H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLATE, ethyl 2-(2-bromo-3,4,5-trimethoxybenzamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, ethyl 2-[(2-bromo-3,4,5-trimethoxyphenyl)carbonylamino]-4,5,6-trihydrocyclopen ta[2,1-b]thiophene-3-carboxylate
| Molecular Formula | C20H22BrNO6S |
|---|---|
| Molecular Weight | 483.04 g/mol |
| LogP | 4.4541 |
| Topological Polar Surface Area | 83.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 483.03513 |
| Heavy Atoms | 29 |
| Complexity | 955.1786 |
Chemical Identifiers
| CAS Number | 459152-40-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=CC(=C(C(=C3Br)OC)OC)OC |
Product Overview
AE-641/40790518 (CAS 459152-40-0), with molecular formula C20H22BrNO6S and molecular weight 483.04 g/mol. IUPAC: ethyl 2-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of AE-641/40790518
Property Insights of AE-641/40790518
The XLogP value of 4.4541 indicates that AE-641/40790518 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.09 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-641/40790518. Following Lipinski's Rule of Five, AE-641/40790518 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 AE-641/40790518?
The CAS number of AE-641/40790518 is 459152-40-0.
What is the molecular formula of AE-641/40790518?
The molecular formula of AE-641/40790518 is C20H22BrNO6S.
What is the molecular weight of AE-641/40790518?
The molecular weight of AE-641/40790518 is 483.04 g/mol.
Where can I buy AE-641/40790518?
You can request a quote for AE-641/40790518 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-641/40790518?
Yes, KEHONG BIO provides custom synthesis services for AE-641/40790518 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.