AE-641/40793620
TL;DR: AE-641/40793620 (CAS 384373-79-9) is a chemical compound with molecular formula C21H22BrNO8S and molecular weight 527.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
Also Known As: AE-641/40793620, dimethyl 2-{[(2-bromo-3,4,5-trimethoxyphenyl)carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate, dimethyl 2-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate, dimethyl 2-(2-bromo-3,4,5-trimethoxybenzamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate, methyl 2-[(2-bromo-3,4,5-trimethoxyphenyl)carbonylamino]-3-(methoxycarbonyl)-4 ,5,6-trihydrocyclopenta[3,2-b]thiophene-4-carboxylate
| Molecular Formula | C21H22BrNO8S |
|---|---|
| Molecular Weight | 527.02 g/mol |
| LogP | 3.7781 |
| Topological Polar Surface Area | 109.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 527.02496 |
| Heavy Atoms | 32 |
| Complexity | 1080.4824 |
Chemical Identifiers
| CAS Number | 384373-79-9 |
|---|---|
| SMILES | COC1=C(C(=C(C(=C1)C(=O)NC2=C(C3=C(S2)CCC3C(=O)OC)C(=O)OC)Br)OC)OC |
Product Overview
AE-641/40793620 (CAS 384373-79-9), with molecular formula C21H22BrNO8S and molecular weight 527.02 g/mol. IUPAC: dimethyl 2-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate.
Chemical Property Profile of AE-641/40793620
Property Insights of AE-641/40793620
The XLogP value of 3.7781 indicates that AE-641/40793620 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.39 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-641/40793620. Following Lipinski's Rule of Five, AE-641/40793620 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AE-641/40793620?
The CAS number of AE-641/40793620 is 384373-79-9.
What is the molecular formula of AE-641/40793620?
The molecular formula of AE-641/40793620 is C21H22BrNO8S.
What is the molecular weight of AE-641/40793620?
The molecular weight of AE-641/40793620 is 527.02 g/mol.
Where can I buy AE-641/40793620?
You can request a quote for AE-641/40793620 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-641/40793620?
Yes, KEHONG BIO provides custom synthesis services for AE-641/40793620 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.