AF-399/41767612
TL;DR: AF-399/41767612 (CAS 496776-72-8) is a chemical compound with molecular formula C19H12Cl3N3OS2 and molecular weight 466.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3-chloro-1-benzothiophen-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(2,4-dichlorophenyl)ethanone
Also Known As: AF-399/41767612, 2-[[5-(3-chloro-1-benzothiophen-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(2,4-dichlorophenyl)ethanone, 2-{[5-(3-chloro-1-benzothien-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,4-dichlorophenyl)ethanone, 1-(2,4-dichlorophenyl)-2-[5-(3-chlorobenzo[b]thiophen-2-yl)-4-methyl(1,2,4-tri azol-3-ylthio)]ethan-1-one, 2-{[5-(3-chloro-1-benzothiophen-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,4-dichlorophenyl)ethanone
| Molecular Formula | C19H12Cl3N3OS2 |
|---|---|
| Molecular Weight | 466.95 g/mol |
| LogP | 6.632 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 466.94873 |
| Heavy Atoms | 28 |
| Complexity | 1202.5775 |
Chemical Identifiers
| CAS Number | 496776-72-8 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)C2=C(C=C(C=C2)Cl)Cl)C3=C(C4=CC=CC=C4S3)Cl |
Product Overview
AF-399/41767612 (CAS 496776-72-8), with molecular formula C19H12Cl3N3OS2 and molecular weight 466.95 g/mol. IUPAC: 2-[[5-(3-chloro-1-benzothiophen-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(2,4-dichlorophenyl)ethanone.
Chemical Property Profile of AF-399/41767612
Property Insights of AF-399/41767612
The XLogP value of 6.632 indicates that AF-399/41767612 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.78 Ų, AF-399/41767612 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/41767612 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/41767612?
The CAS number of AF-399/41767612 is 496776-72-8.
What is the molecular formula of AF-399/41767612?
The molecular formula of AF-399/41767612 is C19H12Cl3N3OS2.
What is the molecular weight of AF-399/41767612?
The molecular weight of AF-399/41767612 is 466.95 g/mol.
Where can I buy AF-399/41767612?
You can request a quote for AF-399/41767612 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41767612?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41767612 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.