AE-848/11420227
TL;DR: AE-848/11420227 (CAS 387831-72-3) is a chemical compound with molecular formula C25H22N2O5S and molecular weight 462.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate
Also Known As: AE-848/11420227, ethyl 2-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate, 2-[4-(2,5-Dioxo-pyrrolidin-1-yl)-benzoylamino]-4-p-tolyl-thiophene-3-carboxylic acid ethyl ester, ethyl 2-(4-(2,5-dioxopyrrolidin-1-yl)benzamido)-4-(p-tolyl)thiophene-3-carboxylate, ethyl 2-({[4-(2,5-dioxopyrrolidin-1-yl)phenyl]carbonyl}amino)-4-(4-methylphenyl)thiophene-3-carboxylate
| Molecular Formula | C25H22N2O5S |
|---|---|
| Molecular Weight | 462.12 g/mol |
| LogP | 4.80592 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 462.12494 |
| Heavy Atoms | 33 |
| Complexity | 1212.6881 |
Chemical Identifiers
| CAS Number | 387831-72-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)C3=CC=C(C=C3)N4C(=O)CCC4=O |
Product Overview
AE-848/11420227 (CAS 387831-72-3), with molecular formula C25H22N2O5S and molecular weight 462.12 g/mol. IUPAC: ethyl 2-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate.
Chemical Property Profile of AE-848/11420227
Property Insights of AE-848/11420227
The XLogP value of 4.80592 indicates that AE-848/11420227 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-848/11420227. Following Lipinski's Rule of Five, AE-848/11420227 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-848/11420227?
The CAS number of AE-848/11420227 is 387831-72-3.
What is the molecular formula of AE-848/11420227?
The molecular formula of AE-848/11420227 is C25H22N2O5S.
What is the molecular weight of AE-848/11420227?
The molecular weight of AE-848/11420227 is 462.12 g/mol.
Where can I buy AE-848/11420227?
You can request a quote for AE-848/11420227 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/11420227?
Yes, KEHONG BIO provides custom synthesis services for AE-848/11420227 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.