AF-399/41115226
TL;DR: AF-399/41115226 (CAS 384803-18-3) is a chemical compound with molecular formula C18H15Cl3N2O4S2 and molecular weight 491.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2,2,2-trichloro-1-(4-methylphenyl)sulfanylethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
Also Known As: AF-399/41115226, 2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-{2,2,2-trichloro-1-[(4-methylphenyl)sulfanyl]ethyl}acetamide, 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-{2,2,2-trichloro-1-[(4-methylphenyl)sulfanyl]ethyl}acetamide, 2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-(2,2,2-trichloro-1-(p-tolylthio)ethyl)acetamide, N-[2,2,2-trichloro-1-(4-methylphenyl)sulfanylethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
| Molecular Formula | C18H15Cl3N2O4S2 |
|---|---|
| Molecular Weight | 491.95 g/mol |
| LogP | 3.74432 |
| Topological Polar Surface Area | 83.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 491.9539 |
| Heavy Atoms | 29 |
| Complexity | 1053.5211 |
Chemical Identifiers
| CAS Number | 384803-18-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC(C(Cl)(Cl)Cl)NC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O |
Product Overview
AF-399/41115226 (CAS 384803-18-3), with molecular formula C18H15Cl3N2O4S2 and molecular weight 491.95 g/mol. IUPAC: N-[2,2,2-trichloro-1-(4-methylphenyl)sulfanylethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide.
Chemical Property Profile of AF-399/41115226
Property Insights of AF-399/41115226
The XLogP value of 3.74432 indicates that AF-399/41115226 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.55 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41115226. Following Lipinski's Rule of Five, AF-399/41115226 has 1 hydrogen bond donor(s) and 5 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-399/41115226?
The CAS number of AF-399/41115226 is 384803-18-3.
What is the molecular formula of AF-399/41115226?
The molecular formula of AF-399/41115226 is C18H15Cl3N2O4S2.
What is the molecular weight of AF-399/41115226?
The molecular weight of AF-399/41115226 is 491.95 g/mol.
Where can I buy AF-399/41115226?
You can request a quote for AF-399/41115226 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41115226?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41115226 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.