AH-487/41729826
TL;DR: AH-487/41729826 (CAS 663213-35-2) is a chemical compound with molecular formula C20H18ClF3N4OS and molecular weight 454.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[4-(3,4-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: AH-487/41729826, N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[4-(3,4-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-[4-chloro-3-(trifluoromethyl)phenyl]-2-{[4-(3,4-dimethylphenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C20H18ClF3N4OS |
|---|---|
| Molecular Weight | 454.08 g/mol |
| LogP | 5.59556 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.0842 |
| Heavy Atoms | 30 |
| Complexity | 1098.141 |
Chemical Identifiers
| CAS Number | 663213-35-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)C)C |
Product Overview
AH-487/41729826 (CAS 663213-35-2), with molecular formula C20H18ClF3N4OS and molecular weight 454.08 g/mol. IUPAC: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[4-(3,4-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of AH-487/41729826
Property Insights of AH-487/41729826
The XLogP value of 5.59556 indicates that AH-487/41729826 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, AH-487/41729826 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AH-487/41729826 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AH-487/41729826?
The CAS number of AH-487/41729826 is 663213-35-2.
What is the molecular formula of AH-487/41729826?
The molecular formula of AH-487/41729826 is C20H18ClF3N4OS.
What is the molecular weight of AH-487/41729826?
The molecular weight of AH-487/41729826 is 454.08 g/mol.
Where can I buy AH-487/41729826?
You can request a quote for AH-487/41729826 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AH-487/41729826?
Yes, KEHONG BIO provides custom synthesis services for AH-487/41729826 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.