AE-641/40794571
TL;DR: AE-641/40794571 (CAS 459152-37-5) is a chemical compound with molecular formula C23H24N2O5S and molecular weight 440.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: AE-641/40794571, methyl 2-[[2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylpentanoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-(2-(1,3-dioxoisoindolin-2-yl)-4-methylpentanamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, METHYL 2-[2-(1,3-DIOXO-2,3-DIHYDRO-1H-ISOINDOL-2-YL)-4-METHYLPENTANAMIDO]-4H,5H,6H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLATE
| Molecular Formula | C23H24N2O5S |
|---|---|
| Molecular Weight | 440.14 g/mol |
| LogP | 3.6728 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 440.1406 |
| Heavy Atoms | 31 |
| Complexity | 1052.6311 |
Chemical Identifiers
| CAS Number | 459152-37-5 |
|---|---|
| SMILES | CC(C)CC(C(=O)NC1=C(C2=C(S1)CCC2)C(=O)OC)N3C(=O)C4=CC=CC=C4C3=O |
Product Overview
AE-641/40794571 (CAS 459152-37-5), with molecular formula C23H24N2O5S and molecular weight 440.14 g/mol. IUPAC: methyl 2-[[2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of AE-641/40794571
Property Insights of AE-641/40794571
The XLogP value of 3.6728 indicates that AE-641/40794571 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-641/40794571. Following Lipinski's Rule of Five, AE-641/40794571 has 1 hydrogen bond donor(s) and 6 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-641/40794571?
The CAS number of AE-641/40794571 is 459152-37-5.
What is the molecular formula of AE-641/40794571?
The molecular formula of AE-641/40794571 is C23H24N2O5S.
What is the molecular weight of AE-641/40794571?
The molecular weight of AE-641/40794571 is 440.14 g/mol.
Where can I buy AE-641/40794571?
You can request a quote for AE-641/40794571 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-641/40794571?
Yes, KEHONG BIO provides custom synthesis services for AE-641/40794571 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.