AF-399/41319874
TL;DR: AF-399/41319874 (CAS 462069-84-7) is a chemical compound with molecular formula C18H15Cl3N2O6S and molecular weight 491.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2,2,2-trichloro-1-(2-methoxyphenoxy)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
Also Known As: AF-399/41319874, 2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-[2,2,2-trichloro-1-(2-methoxyphenoxy)ethyl]acetamide, 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-[2,2,2-trichloro-1-(2-methoxyphenoxy)ethyl]acetamide, 2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-(2,2,2-trichloro-1-(2-methoxyphenoxy)ethyl)acetamide, N-[2,2,2-trichloro-1-(2-methoxyphenoxy)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
| Molecular Formula | C18H15Cl3N2O6S |
|---|---|
| Molecular Weight | 491.97 g/mol |
| LogP | 2.7312 |
| Topological Polar Surface Area | 102.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 491.97165 |
| Heavy Atoms | 30 |
| Complexity | 1087.3245 |
Chemical Identifiers
| CAS Number | 462069-84-7 |
|---|---|
| SMILES | COC1=CC=CC=C1OC(C(Cl)(Cl)Cl)NC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O |
Product Overview
AF-399/41319874 (CAS 462069-84-7), with molecular formula C18H15Cl3N2O6S and molecular weight 491.97 g/mol. IUPAC: N-[2,2,2-trichloro-1-(2-methoxyphenoxy)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide.
Chemical Property Profile of AF-399/41319874
Property Insights of AF-399/41319874
The XLogP value of 2.7312 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AF-399/41319874. The TPSA of 102.01 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41319874. Following Lipinski's Rule of Five, AF-399/41319874 has 1 hydrogen bond donor(s) and 6 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-399/41319874?
The CAS number of AF-399/41319874 is 462069-84-7.
What is the molecular formula of AF-399/41319874?
The molecular formula of AF-399/41319874 is C18H15Cl3N2O6S.
What is the molecular weight of AF-399/41319874?
The molecular weight of AF-399/41319874 is 491.97 g/mol.
Where can I buy AF-399/41319874?
You can request a quote for AF-399/41319874 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41319874?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41319874 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.