AN-698/42115883
TL;DR: AN-698/42115883 (CAS 665018-16-6) is a chemical compound with molecular formula C19H18BrFN4O2S and molecular weight 464.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromo-2-fluorophenyl)-2-[[5-[(4-methoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: AN-698/42115883, N-(4-bromo-2-fluorophenyl)-2-{[5-(4-methoxybenzyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(4-bromo-2-fluorophenyl)-2-[[5-[(4-methoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C19H18BrFN4O2S |
|---|---|
| Molecular Weight | 464.03 g/mol |
| LogP | 4.0469 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 464.0318 |
| Heavy Atoms | 28 |
| Complexity | 978.565 |
Chemical Identifiers
| CAS Number | 665018-16-6 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)Br)F)CC3=CC=C(C=C3)OC |
Product Overview
AN-698/42115883 (CAS 665018-16-6), with molecular formula C19H18BrFN4O2S and molecular weight 464.03 g/mol. IUPAC: N-(4-bromo-2-fluorophenyl)-2-[[5-[(4-methoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of AN-698/42115883
Property Insights of AN-698/42115883
The XLogP value of 4.0469 indicates that AN-698/42115883 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-698/42115883. Following Lipinski's Rule of Five, AN-698/42115883 has 1 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-698/42115883?
The CAS number of AN-698/42115883 is 665018-16-6.
What is the molecular formula of AN-698/42115883?
The molecular formula of AN-698/42115883 is C19H18BrFN4O2S.
What is the molecular weight of AN-698/42115883?
The molecular weight of AN-698/42115883 is 464.03 g/mol.
Where can I buy AN-698/42115883?
You can request a quote for AN-698/42115883 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/42115883?
Yes, KEHONG BIO provides custom synthesis services for AN-698/42115883 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.