AN-698/42116697
TL;DR: AN-698/42116697 (CAS 665018-61-1) is a chemical compound with molecular formula C18H16BrN3O2S and molecular weight 417.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: AN-698/42116697, 1-(4-bromophenyl)-2-{[5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone, 1-(4-bromophenyl)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
| Molecular Formula | C18H16BrN3O2S |
|---|---|
| Molecular Weight | 417.01 g/mol |
| LogP | 4.2282 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.01465 |
| Heavy Atoms | 25 |
| Complexity | 876.34174 |
Chemical Identifiers
| CAS Number | 665018-61-1 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)OC |
Product Overview
AN-698/42116697 (CAS 665018-61-1), with molecular formula C18H16BrN3O2S and molecular weight 417.01 g/mol. IUPAC: 1-(4-bromophenyl)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of AN-698/42116697
Property Insights of AN-698/42116697
The XLogP value of 4.2282 indicates that AN-698/42116697 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.01 Ų, AN-698/42116697 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-698/42116697 has 0 hydrogen bond donor(s) and 5 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-698/42116697?
The CAS number of AN-698/42116697 is 665018-61-1.
What is the molecular formula of AN-698/42116697?
The molecular formula of AN-698/42116697 is C18H16BrN3O2S.
What is the molecular weight of AN-698/42116697?
The molecular weight of AN-698/42116697 is 417.01 g/mol.
Where can I buy AN-698/42116697?
You can request a quote for AN-698/42116697 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/42116697?
Yes, KEHONG BIO provides custom synthesis services for AN-698/42116697 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.