AE-848/40937627
TL;DR: AE-848/40937627 (CAS 461027-39-4) is a chemical compound with molecular formula C21H21NO6S and molecular weight 415.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-ethyl-2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]thiophene-3-carboxylate
Also Known As: AE-848/40937627, ethyl 5-ethyl-2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]thiophene-3-carboxylate, ethyl 5-ethyl-2-(2-((4-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)thiophene-3-carboxylate, ethyl 5-ethyl-2-[[2-(4-methyl-2-oxo-chromen-7-yl)oxyacetyl]amino]thiophene-3-carboxylate, 5-Ethyl-2-[2-(4-methyl-2-oxo-2H-chromen-7-yloxy)-acetylamino]-thiophene-3-carboxylic acid ethyl ester
| Molecular Formula | C21H21NO6S |
|---|---|
| Molecular Weight | 415.11 g/mol |
| LogP | 3.91952 |
| Topological Polar Surface Area | 94.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 415.10895 |
| Heavy Atoms | 29 |
| Complexity | 1114.0471 |
Chemical Identifiers
| CAS Number | 461027-39-4 |
|---|---|
| SMILES | CCC1=CC(=C(S1)NC(=O)COC2=CC3=C(C=C2)C(=CC(=O)O3)C)C(=O)OCC |
Product Overview
AE-848/40937627 (CAS 461027-39-4), with molecular formula C21H21NO6S and molecular weight 415.11 g/mol. IUPAC: ethyl 5-ethyl-2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of AE-848/40937627
Property Insights of AE-848/40937627
The XLogP value of 3.91952 indicates that AE-848/40937627 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.84 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/40937627. Following Lipinski's Rule of Five, AE-848/40937627 has 1 hydrogen bond donor(s) and 7 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-848/40937627?
The CAS number of AE-848/40937627 is 461027-39-4.
What is the molecular formula of AE-848/40937627?
The molecular formula of AE-848/40937627 is C21H21NO6S.
What is the molecular weight of AE-848/40937627?
The molecular weight of AE-848/40937627 is 415.11 g/mol.
Where can I buy AE-848/40937627?
You can request a quote for AE-848/40937627 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/40937627?
Yes, KEHONG BIO provides custom synthesis services for AE-848/40937627 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.