AE-641/40795279
TL;DR: AE-641/40795279 (CAS 459152-29-5) is a chemical compound with molecular formula C19H14F3N3O3S and molecular weight 421.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-dioxoisoindol-2-yl)-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]propanamide
Also Known As: AE-641/40795279, F3096-2631, 3-(1,3-dioxoisoindol-2-yl)-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]propanamide, 3-(1,3-dioxoisoindolin-2-yl)-N-((2-(trifluoromethyl)phenyl)carbamothioyl)propanamide, 3-(1,3-dioxobenzo[c]azolidin-2-yl)-N-(thioxo{[2-(trifluoromethyl)phenyl]amino} methyl)propanamide
| Molecular Formula | C19H14F3N3O3S |
|---|---|
| Molecular Weight | 421.07 g/mol |
| LogP | 3.2047 |
| Topological Polar Surface Area | 78.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 421.0708 |
| Heavy Atoms | 29 |
| Complexity | 972.43414 |
Chemical Identifiers
| CAS Number | 459152-29-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)NC(=S)NC3=CC=CC=C3C(F)(F)F |
Product Overview
AE-641/40795279 (CAS 459152-29-5), with molecular formula C19H14F3N3O3S and molecular weight 421.07 g/mol. IUPAC: 3-(1,3-dioxoisoindol-2-yl)-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]propanamide.
Chemical Property Profile of AE-641/40795279
Property Insights of AE-641/40795279
The XLogP value of 3.2047 indicates that AE-641/40795279 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.51 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-641/40795279. Following Lipinski's Rule of Five, AE-641/40795279 has 2 hydrogen bond donor(s) and 4 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-641/40795279?
The CAS number of AE-641/40795279 is 459152-29-5.
What is the molecular formula of AE-641/40795279?
The molecular formula of AE-641/40795279 is C19H14F3N3O3S.
What is the molecular weight of AE-641/40795279?
The molecular weight of AE-641/40795279 is 421.07 g/mol.
Where can I buy AE-641/40795279?
You can request a quote for AE-641/40795279 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-641/40795279?
Yes, KEHONG BIO provides custom synthesis services for AE-641/40795279 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.