AE-641/40789699
TL;DR: AE-641/40789699 (CAS 459152-36-4) is a chemical compound with molecular formula C25H26N2O7S and molecular weight 498.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[6-(1,3-dioxoisoindol-2-yl)hexanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
Also Known As: AE-641/40789699, dimethyl 2-{[6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate, 3,4-DIMETHYL 2-[6-(1,3-DIOXO-2,3-DIHYDRO-1H-ISOINDOL-2-YL)HEXANAMIDO]-4H,5H,6H-CYCLOPENTA[B]THIOPHENE-3,4-DICARBOXYLATE, dimethyl 2-(6-(1,3-dioxoisoindolin-2-yl)hexanamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate, dimethyl 2-[6-(1,3-dioxoisoindol-2-yl)hexanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
| Molecular Formula | C25H26N2O7S |
|---|---|
| Molecular Weight | 498.15 g/mol |
| LogP | 3.5326 |
| Topological Polar Surface Area | 119.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 498.14606 |
| Heavy Atoms | 35 |
| Complexity | 1167.4174 |
Chemical Identifiers
| CAS Number | 459152-36-4 |
|---|---|
| SMILES | COC(=O)C1CCC2=C1C(=C(S2)NC(=O)CCCCCN3C(=O)C4=CC=CC=C4C3=O)C(=O)OC |
Product Overview
AE-641/40789699 (CAS 459152-36-4), with molecular formula C25H26N2O7S and molecular weight 498.15 g/mol. IUPAC: dimethyl 2-[6-(1,3-dioxoisoindol-2-yl)hexanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate.
Chemical Property Profile of AE-641/40789699
Property Insights of AE-641/40789699
The XLogP value of 3.5326 indicates that AE-641/40789699 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.08 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-641/40789699. Following Lipinski's Rule of Five, AE-641/40789699 has 1 hydrogen bond donor(s) and 8 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-641/40789699?
The CAS number of AE-641/40789699 is 459152-36-4.
What is the molecular formula of AE-641/40789699?
The molecular formula of AE-641/40789699 is C25H26N2O7S.
What is the molecular weight of AE-641/40789699?
The molecular weight of AE-641/40789699 is 498.15 g/mol.
Where can I buy AE-641/40789699?
You can request a quote for AE-641/40789699 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-641/40789699?
Yes, KEHONG BIO provides custom synthesis services for AE-641/40789699 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.