AN-698/42261994
TL;DR: AN-698/42261994 (CAS 701221-26-3) is a chemical compound with molecular formula C21H23ClN4O2S2 and molecular weight 462.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(4-chlorophenyl)methylsulfanylmethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide
Also Known As: AN-698/42261994, 2-[[5-[(4-chlorophenyl)methylsulfanylmethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide, 2-[(5-{[(4-chlorobenzyl)sulfanyl]methyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
| Molecular Formula | C21H23ClN4O2S2 |
|---|---|
| Molecular Weight | 462.10 g/mol |
| LogP | 5.1242 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 462.0951 |
| Heavy Atoms | 30 |
| Complexity | 979.39264 |
Chemical Identifiers
| CAS Number | 701221-26-3 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2OC)CSCC3=CC=C(C=C3)Cl |
Product Overview
AN-698/42261994 (CAS 701221-26-3), with molecular formula C21H23ClN4O2S2 and molecular weight 462.10 g/mol. IUPAC: 2-[[5-[(4-chlorophenyl)methylsulfanylmethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide.
Chemical Property Profile of AN-698/42261994
Property Insights of AN-698/42261994
The XLogP value of 5.1242 indicates that AN-698/42261994 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-698/42261994. Following Lipinski's Rule of Five, AN-698/42261994 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-698/42261994?
The CAS number of AN-698/42261994 is 701221-26-3.
What is the molecular formula of AN-698/42261994?
The molecular formula of AN-698/42261994 is C21H23ClN4O2S2.
What is the molecular weight of AN-698/42261994?
The molecular weight of AN-698/42261994 is 462.10 g/mol.
Where can I buy AN-698/42261994?
You can request a quote for AN-698/42261994 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/42261994?
Yes, KEHONG BIO provides custom synthesis services for AN-698/42261994 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.