AE-641/40789909
TL;DR: AE-641/40789909 (CAS 371215-65-5) is a chemical compound with molecular formula C22H20N2O7S and molecular weight 456.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
Also Known As: AE-641/40789909, dimethyl 2-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate, 3,4-DIMETHYL 2-[2-(1,3-DIOXO-2,3-DIHYDRO-1H-ISOINDOL-2-YL)PROPANAMIDO]-4H,5H,6H-CYCLOPENTA[B]THIOPHENE-3,4-DICARBOXYLATE, dimethyl 2-(2-(1,3-dioxoisoindolin-2-yl)propanamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate, dimethyl 2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
| Molecular Formula | C22H20N2O7S |
|---|---|
| Molecular Weight | 456.10 g/mol |
| LogP | 2.3607 |
| Topological Polar Surface Area | 119.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 456.09912 |
| Heavy Atoms | 32 |
| Complexity | 1134.0243 |
Chemical Identifiers
| CAS Number | 371215-65-5 |
|---|---|
| SMILES | CC(C(=O)NC1=C(C2=C(S1)CCC2C(=O)OC)C(=O)OC)N3C(=O)C4=CC=CC=C4C3=O |
Product Overview
AE-641/40789909 (CAS 371215-65-5), with molecular formula C22H20N2O7S and molecular weight 456.10 g/mol. IUPAC: dimethyl 2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate.
Chemical Property Profile of AE-641/40789909
Property Insights of AE-641/40789909
The XLogP value of 2.3607 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AE-641/40789909. The TPSA of 119.08 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-641/40789909. Following Lipinski's Rule of Five, AE-641/40789909 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-641/40789909?
The CAS number of AE-641/40789909 is 371215-65-5.
What is the molecular formula of AE-641/40789909?
The molecular formula of AE-641/40789909 is C22H20N2O7S.
What is the molecular weight of AE-641/40789909?
The molecular weight of AE-641/40789909 is 456.10 g/mol.
Where can I buy AE-641/40789909?
You can request a quote for AE-641/40789909 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-641/40789909?
Yes, KEHONG BIO provides custom synthesis services for AE-641/40789909 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.