AE-848/37051076
TL;DR: AE-848/37051076 (CAS 312940-21-9) is a chemical compound with molecular formula C21H20N2O5S and molecular weight 412.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[3-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: AE-848/37051076, ethyl 2-(3-(2,5-dioxopyrrolidin-1-yl)benzamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, ethyl 2-({[3-(2,5-dioxopyrrolidin-1-yl)phenyl]carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, ethyl 2-[[3-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, ETHYL 2-[3-(2,5-DIOXOPYRROLIDIN-1-YL)BENZAMIDO]-4H,5H,6H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLATE
| Molecular Formula | C21H20N2O5S |
|---|---|
| Molecular Weight | 412.11 g/mol |
| LogP | 3.3192 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.10928 |
| Heavy Atoms | 29 |
| Complexity | 1010.074 |
Chemical Identifiers
| CAS Number | 312940-21-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=CC(=CC=C3)N4C(=O)CCC4=O |
Product Overview
AE-848/37051076 (CAS 312940-21-9), with molecular formula C21H20N2O5S and molecular weight 412.11 g/mol. IUPAC: ethyl 2-[[3-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of AE-848/37051076
Property Insights of AE-848/37051076
The XLogP value of 3.3192 indicates that AE-848/37051076 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-848/37051076. Following Lipinski's Rule of Five, AE-848/37051076 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-848/37051076?
The CAS number of AE-848/37051076 is 312940-21-9.
What is the molecular formula of AE-848/37051076?
The molecular formula of AE-848/37051076 is C21H20N2O5S.
What is the molecular weight of AE-848/37051076?
The molecular weight of AE-848/37051076 is 412.11 g/mol.
Where can I buy AE-848/37051076?
You can request a quote for AE-848/37051076 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/37051076?
Yes, KEHONG BIO provides custom synthesis services for AE-848/37051076 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.