AF-399/40805018
TL;DR: AF-399/40805018 (CAS 452089-29-1) is a chemical compound with molecular formula C33H24Cl2N6O2S2 and molecular weight 670.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-2-[[5-[[5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: AF-399/40805018, 1-(4-chlorophenyl)-2-({5-[(5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one, F1044-0032, 1-(4-chlorophenyl)-2-[[5-[[5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone, 1-(4-chlorophenyl)-2-({5-[(5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone
| Molecular Formula | C33H24Cl2N6O2S2 |
|---|---|
| Molecular Weight | 670.08 g/mol |
| LogP | 7.6956 |
| Topological Polar Surface Area | 95.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 670.07794 |
| Heavy Atoms | 45 |
| Complexity | 1789.2174 |
Chemical Identifiers
| CAS Number | 452089-29-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)Cl)CC4=NN=C(N4C5=CC=CC=C5)SCC(=O)C6=CC=C(C=C6)Cl |
Product Overview
AF-399/40805018 (CAS 452089-29-1), with molecular formula C33H24Cl2N6O2S2 and molecular weight 670.08 g/mol. IUPAC: 1-(4-chlorophenyl)-2-[[5-[[5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of AF-399/40805018
Property Insights of AF-399/40805018
The XLogP value of 7.6956 indicates that AF-399/40805018 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.56 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40805018. Following Lipinski's Rule of Five, AF-399/40805018 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/40805018?
The CAS number of AF-399/40805018 is 452089-29-1.
What is the molecular formula of AF-399/40805018?
The molecular formula of AF-399/40805018 is C33H24Cl2N6O2S2.
What is the molecular weight of AF-399/40805018?
The molecular weight of AF-399/40805018 is 670.08 g/mol.
Where can I buy AF-399/40805018?
You can request a quote for AF-399/40805018 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40805018?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40805018 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.