AN-698/42147826
TL;DR: AN-698/42147826 (CAS 694486-12-9) is a chemical compound with molecular formula C21H24N4O3S and molecular weight 412.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-ethoxyphenyl)-2-[[4-methyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: AN-698/42147826, N-(4-ethoxyphenyl)-2-[[4-methyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(4-ethoxyphenyl)-2-({4-methyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
| Molecular Formula | C21H24N4O3S |
|---|---|
| Molecular Weight | 412.16 g/mol |
| LogP | 3.83202 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 412.15692 |
| Heavy Atoms | 29 |
| Complexity | 956.815 |
Chemical Identifiers
| CAS Number | 694486-12-9 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)COC3=CC=CC(=C3)C |
Product Overview
AN-698/42147826 (CAS 694486-12-9), with molecular formula C21H24N4O3S and molecular weight 412.16 g/mol. IUPAC: N-(4-ethoxyphenyl)-2-[[4-methyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of AN-698/42147826
Property Insights of AN-698/42147826
The XLogP value of 3.83202 indicates that AN-698/42147826 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.27 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-698/42147826. Following Lipinski's Rule of Five, AN-698/42147826 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-698/42147826?
The CAS number of AN-698/42147826 is 694486-12-9.
What is the molecular formula of AN-698/42147826?
The molecular formula of AN-698/42147826 is C21H24N4O3S.
What is the molecular weight of AN-698/42147826?
The molecular weight of AN-698/42147826 is 412.16 g/mol.
Where can I buy AN-698/42147826?
You can request a quote for AN-698/42147826 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/42147826?
Yes, KEHONG BIO provides custom synthesis services for AN-698/42147826 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.