AF-399/41669295
TL;DR: AF-399/41669295 (CAS 406915-41-1) is a chemical compound with molecular formula C18H15Cl3FN3O2S and molecular weight 460.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[(4-acetylphenyl)carbamothioylamino]-2,2,2-trichloroethyl]-4-fluorobenzamide
Also Known As: AF-399/41669295, N-(1-{[(4-acetylanilino)carbothioyl]amino}-2,2,2-trichloroethyl)-4-fluorobenzamide, N-[1-[(4-acetylphenyl)carbamothioylamino]-2,2,2-trichloroethyl]-4-fluorobenzamide
| Molecular Formula | C18H15Cl3FN3O2S |
|---|---|
| Molecular Weight | 460.99 g/mol |
| LogP | 4.441 |
| Topological Polar Surface Area | 70.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 460.99347 |
| Heavy Atoms | 28 |
| Complexity | 871.1397 |
Chemical Identifiers
| CAS Number | 406915-41-1 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=C(C=C2)F |
Product Overview
AF-399/41669295 (CAS 406915-41-1), with molecular formula C18H15Cl3FN3O2S and molecular weight 460.99 g/mol. IUPAC: N-[1-[(4-acetylphenyl)carbamothioylamino]-2,2,2-trichloroethyl]-4-fluorobenzamide.
Chemical Property Profile of AF-399/41669295
Property Insights of AF-399/41669295
The XLogP value of 4.441 indicates that AF-399/41669295 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.23 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41669295. Following Lipinski's Rule of Five, AF-399/41669295 has 3 hydrogen bond donor(s) and 3 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 AF-399/41669295?
The CAS number of AF-399/41669295 is 406915-41-1.
What is the molecular formula of AF-399/41669295?
The molecular formula of AF-399/41669295 is C18H15Cl3FN3O2S.
What is the molecular weight of AF-399/41669295?
The molecular weight of AF-399/41669295 is 460.99 g/mol.
Where can I buy AF-399/41669295?
You can request a quote for AF-399/41669295 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41669295?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41669295 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.