AE-848/37051079
TL;DR: AE-848/37051079 (CAS 312940-23-1) is a chemical compound with molecular formula C20H20N2O5S and molecular weight 400.11 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]-4,5-dimethylthiophene-3-carboxylate
Also Known As: AE-848/37051079, ethyl 2-[[3-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate, ethyl 2-{[3-(2,5-dioxo-1-pyrrolidinyl)benzoyl]amino}-4,5-dimethyl-3-thiophenecarboxylate, ethyl 2-(3-(2,5-dioxopyrrolidin-1-yl)benzamido)-4,5-dimethylthiophene-3-carboxylate, ethyl 2-({[3-(2,5-dioxopyrrolidin-1-yl)phenyl]carbonyl}amino)-4,5-dimethylthiophene-3-carboxylate
| Molecular Formula | C20H20N2O5S |
|---|---|
| Molecular Weight | 400.11 g/mol |
| LogP | 3.44734 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.10928 |
| Heavy Atoms | 28 |
| Complexity | 962.9708 |
Chemical Identifiers
| CAS Number | 312940-23-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=CC(=CC=C2)N3C(=O)CCC3=O |
Product Overview
AE-848/37051079 (CAS 312940-23-1), with molecular formula C20H20N2O5S and molecular weight 400.11 g/mol. IUPAC: ethyl 2-[[3-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of AE-848/37051079
Property Insights of AE-848/37051079
The XLogP value of 3.44734 indicates that AE-848/37051079 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-848/37051079. Following Lipinski's Rule of Five, AE-848/37051079 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-848/37051079?
The CAS number of AE-848/37051079 is 312940-23-1.
What is the molecular formula of AE-848/37051079?
The molecular formula of AE-848/37051079 is C20H20N2O5S.
What is the molecular weight of AE-848/37051079?
The molecular weight of AE-848/37051079 is 400.11 g/mol.
Where can I buy AE-848/37051079?
You can request a quote for AE-848/37051079 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/37051079?
Yes, KEHONG BIO provides custom synthesis services for AE-848/37051079 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.