AF-399/41813361
TL;DR: AF-399/41813361 (CAS 430458-49-4) is a chemical compound with molecular formula C22H18Cl3N3O2S and molecular weight 493.02 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]naphthalene-1-carboxamide
Also Known As: AF-399/41813361, N-[1-[(4-acetylphenyl)carbamothioylamino]-2,2,2-trichloroethyl]naphthalene-1-carboxamide, N-(1-{[(4-acetylanilino)carbothioyl]amino}-2,2,2-trichloroethyl)-1-naphthamide
| Molecular Formula | C22H18Cl3N3O2S |
|---|---|
| Molecular Weight | 493.02 g/mol |
| LogP | 5.4551 |
| Topological Polar Surface Area | 70.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 493.01852 |
| Heavy Atoms | 31 |
| Complexity | 1125.5493 |
Chemical Identifiers
| CAS Number | 430458-49-4 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=CC3=CC=CC=C32 |
Product Overview
AF-399/41813361 (CAS 430458-49-4), with molecular formula C22H18Cl3N3O2S and molecular weight 493.02 g/mol. IUPAC: N-[1-[(4-acetylphenyl)carbamothioylamino]-2,2,2-trichloroethyl]naphthalene-1-carboxamide.
Chemical Property Profile of AF-399/41813361
Property Insights of AF-399/41813361
The XLogP value of 5.4551 indicates that AF-399/41813361 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-399/41813361. Following Lipinski's Rule of Five, AF-399/41813361 has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/41813361?
The CAS number of AF-399/41813361 is 430458-49-4.
What is the molecular formula of AF-399/41813361?
The molecular formula of AF-399/41813361 is C22H18Cl3N3O2S.
What is the molecular weight of AF-399/41813361?
The molecular weight of AF-399/41813361 is 493.02 g/mol.
Where can I buy AF-399/41813361?
You can request a quote for AF-399/41813361 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41813361?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41813361 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.