AE-641/40792991
TL;DR: AE-641/40792991 (CAS 459152-30-8) 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-[[3-(trifluoromethyl)phenyl]carbamothioyl]propanamide
Also Known As: AE-641/40792991, 3-(1,3-dioxoisoindol-2-yl)-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]propanamide, 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-({[3-(trifluoromethyl)phenyl]amino}carbonothioyl)propanamide, 3-(1,3-dioxobenzo[c]azolidin-2-yl)-N-(thioxo{[3-(trifluoromethyl)phenyl]amino} methyl)propanamide, 3-[3-(1,3-DIOXO-2,3-DIHYDRO-1H-ISOINDOL-2-YL)PROPANOYL]-1-[3-(TRIFLUOROMETHYL)PHENYL]THIOUREA
| 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 | 459152-30-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)NC(=S)NC3=CC=CC(=C3)C(F)(F)F |
Product Overview
AE-641/40792991 (CAS 459152-30-8), with molecular formula C19H14F3N3O3S and molecular weight 421.07 g/mol. IUPAC: 3-(1,3-dioxoisoindol-2-yl)-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]propanamide.
Chemical Property Profile of AE-641/40792991
Property Insights of AE-641/40792991
The XLogP value of 3.2047 indicates that AE-641/40792991 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-641/40792991. Following Lipinski's Rule of Five, AE-641/40792991 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-641/40792991?
The CAS number of AE-641/40792991 is 459152-30-8.
What is the molecular formula of AE-641/40792991?
The molecular formula of AE-641/40792991 is C19H14F3N3O3S.
What is the molecular weight of AE-641/40792991?
The molecular weight of AE-641/40792991 is 421.07 g/mol.
Where can I buy AE-641/40792991?
You can request a quote for AE-641/40792991 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-641/40792991?
Yes, KEHONG BIO provides custom synthesis services for AE-641/40792991 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.