AE-641/41202469
TL;DR: AE-641/41202469 (CAS 302913-80-0) is a chemical compound with molecular formula C16H12Cl4FN3OS and molecular weight 452.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-fluoro-N-[2,2,2-trichloro-1-[(4-chlorophenyl)carbamothioylamino]ethyl]benzamide
Also Known As: AE-641/41202469, F1197-0261, 4-fluoro-N-(2,2,2-trichloro-1-{[(4-chloroanilino)carbothioyl]amino}ethyl)benzamide, 4-fluoro-N-[2,2,2-trichloro-1-[(4-chlorophenyl)carbamothioylamino]ethyl]benzamide, 4-fluoro-N-(2,2,2-trichloro-1-(3-(4-chlorophenyl)thioureido)ethyl)benzamide
| Molecular Formula | C16H12Cl4FN3OS |
|---|---|
| Molecular Weight | 452.94 g/mol |
| LogP | 4.8918 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 452.9439 |
| Heavy Atoms | 26 |
| Complexity | 781.577 |
Chemical Identifiers
| CAS Number | 302913-80-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=C(C=C2)Cl)F |
Product Overview
AE-641/41202469 (CAS 302913-80-0), with molecular formula C16H12Cl4FN3OS and molecular weight 452.94 g/mol. IUPAC: 4-fluoro-N-[2,2,2-trichloro-1-[(4-chlorophenyl)carbamothioylamino]ethyl]benzamide.
Chemical Property Profile of AE-641/41202469
Property Insights of AE-641/41202469
The XLogP value of 4.8918 indicates that AE-641/41202469 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.16 Ų, AE-641/41202469 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AE-641/41202469 has 3 hydrogen bond donor(s) and 2 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-641/41202469?
The CAS number of AE-641/41202469 is 302913-80-0.
What is the molecular formula of AE-641/41202469?
The molecular formula of AE-641/41202469 is C16H12Cl4FN3OS.
What is the molecular weight of AE-641/41202469?
The molecular weight of AE-641/41202469 is 452.94 g/mol.
Where can I buy AE-641/41202469?
You can request a quote for AE-641/41202469 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-641/41202469?
Yes, KEHONG BIO provides custom synthesis services for AE-641/41202469 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.