AN-698/42116684
TL;DR: AN-698/42116684 (CAS 665018-59-7) is a chemical compound with molecular formula C18H16BrN3OS and molecular weight 401.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: AN-698/42116684, 1-(4-bromophenyl)-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone, 1-(4-bromophenyl)-2-{[4-methyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone, 1-(4-BROMOPHENYL)-2-{[4-METHYL-5-(3-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ETHAN-1-ONE
| Molecular Formula | C18H16BrN3OS |
|---|---|
| Molecular Weight | 401.02 g/mol |
| LogP | 4.52802 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.01974 |
| Heavy Atoms | 24 |
| Complexity | 874.22534 |
Chemical Identifiers
| CAS Number | 665018-59-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=NN=C(N2C)SCC(=O)C3=CC=C(C=C3)Br |
Product Overview
AN-698/42116684 (CAS 665018-59-7), with molecular formula C18H16BrN3OS and molecular weight 401.02 g/mol. IUPAC: 1-(4-bromophenyl)-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of AN-698/42116684
Property Insights of AN-698/42116684
The XLogP value of 4.52802 indicates that AN-698/42116684 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.78 Ų, AN-698/42116684 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-698/42116684 has 0 hydrogen bond donor(s) and 4 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 AN-698/42116684?
The CAS number of AN-698/42116684 is 665018-59-7.
What is the molecular formula of AN-698/42116684?
The molecular formula of AN-698/42116684 is C18H16BrN3OS.
What is the molecular weight of AN-698/42116684?
The molecular weight of AN-698/42116684 is 401.02 g/mol.
Where can I buy AN-698/42116684?
You can request a quote for AN-698/42116684 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/42116684?
Yes, KEHONG BIO provides custom synthesis services for AN-698/42116684 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.