AE-641/41201794
TL;DR: AE-641/41201794 (CAS 379249-62-4) is a chemical compound with molecular formula C25H22N2O3S2 and molecular weight 462.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]-4-phenylthiophene-3-carboxylate
Also Known As: AE-641/41201794, F1143-5992, ethyl 2-({[(4-methylquinolin-2-yl)sulfanyl]acetyl}amino)-4-phenylthiophene-3-carboxylate, ethyl 2-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]-4-phenylthiophene-3-carboxylate, ETHYL 2-{2-[(4-METHYLQUINOLIN-2-YL)SULFANYL]ACETAMIDO}-4-PHENYLTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C25H22N2O3S2 |
|---|---|
| Molecular Weight | 462.11 g/mol |
| LogP | 6.17922 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 462.10718 |
| Heavy Atoms | 32 |
| Complexity | 1268.9235 |
Chemical Identifiers
| CAS Number | 379249-62-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=C3)C |
Product Overview
AE-641/41201794 (CAS 379249-62-4), with molecular formula C25H22N2O3S2 and molecular weight 462.11 g/mol. IUPAC: ethyl 2-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]-4-phenylthiophene-3-carboxylate.
Chemical Property Profile of AE-641/41201794
Property Insights of AE-641/41201794
The XLogP value of 6.17922 indicates that AE-641/41201794 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-641/41201794. Following Lipinski's Rule of Five, AE-641/41201794 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AE-641/41201794?
The CAS number of AE-641/41201794 is 379249-62-4.
What is the molecular formula of AE-641/41201794?
The molecular formula of AE-641/41201794 is C25H22N2O3S2.
What is the molecular weight of AE-641/41201794?
The molecular weight of AE-641/41201794 is 462.11 g/mol.
Where can I buy AE-641/41201794?
You can request a quote for AE-641/41201794 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-641/41201794?
Yes, KEHONG BIO provides custom synthesis services for AE-641/41201794 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.