AN-698/42147858
TL;DR: AN-698/42147858 (CAS 694497-46-6) is a chemical compound with molecular formula C21H24N4O2S2 and molecular weight 428.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylsulfanylphenyl)acetamide
Also Known As: AN-698/42147858, 2-({4-ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[3-(methylsulfanyl)phenyl]acetamide, 2-[[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylsulfanylphenyl)acetamide
| Molecular Formula | C21H24N4O2S2 |
|---|---|
| Molecular Weight | 428.13 g/mol |
| LogP | 4.63812 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 428.13406 |
| Heavy Atoms | 29 |
| Complexity | 957.5699 |
Chemical Identifiers
| CAS Number | 694497-46-6 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)SC)COC3=CC=C(C=C3)C |
Product Overview
AN-698/42147858 (CAS 694497-46-6), with molecular formula C21H24N4O2S2 and molecular weight 428.13 g/mol. IUPAC: 2-[[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylsulfanylphenyl)acetamide.
Chemical Property Profile of AN-698/42147858
Property Insights of AN-698/42147858
The XLogP value of 4.63812 indicates that AN-698/42147858 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-698/42147858. Following Lipinski's Rule of Five, AN-698/42147858 has 1 hydrogen bond donor(s) and 6 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-698/42147858?
The CAS number of AN-698/42147858 is 694497-46-6.
What is the molecular formula of AN-698/42147858?
The molecular formula of AN-698/42147858 is C21H24N4O2S2.
What is the molecular weight of AN-698/42147858?
The molecular weight of AN-698/42147858 is 428.13 g/mol.
Where can I buy AN-698/42147858?
You can request a quote for AN-698/42147858 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/42147858?
Yes, KEHONG BIO provides custom synthesis services for AN-698/42147858 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.