AN-698/42115892
TL;DR: AN-698/42115892 (CAS 665018-19-9) is a chemical compound with molecular formula C19H18BrFN4OS and molecular weight 448.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromo-2-fluorophenyl)-2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: AN-698/42115892, N-(4-bromo-2-fluorophenyl)-2-{[4-ethyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(4-bromo-2-fluorophenyl)-2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C19H18BrFN4OS |
|---|---|
| Molecular Weight | 448.04 g/mol |
| LogP | 4.90582 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 448.03687 |
| Heavy Atoms | 27 |
| Complexity | 976.09357 |
Chemical Identifiers
| CAS Number | 665018-19-9 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)Br)F)C3=CC=CC(=C3)C |
Product Overview
AN-698/42115892 (CAS 665018-19-9), with molecular formula C19H18BrFN4OS and molecular weight 448.04 g/mol. IUPAC: N-(4-bromo-2-fluorophenyl)-2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of AN-698/42115892
Property Insights of AN-698/42115892
The XLogP value of 4.90582 indicates that AN-698/42115892 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, AN-698/42115892 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-698/42115892 has 1 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-698/42115892?
The CAS number of AN-698/42115892 is 665018-19-9.
What is the molecular formula of AN-698/42115892?
The molecular formula of AN-698/42115892 is C19H18BrFN4OS.
What is the molecular weight of AN-698/42115892?
The molecular weight of AN-698/42115892 is 448.04 g/mol.
Where can I buy AN-698/42115892?
You can request a quote for AN-698/42115892 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/42115892?
Yes, KEHONG BIO provides custom synthesis services for AN-698/42115892 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.