AN-698/42115911
TL;DR: AN-698/42115911 (CAS 713095-87-5) is a chemical compound with molecular formula C21H23ClN4O2S and molecular weight 430.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chlorophenyl)-2-[[4-methyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: AN-698/42115911, N-(2-chlorophenyl)-2-[(4-methyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(2-chlorophenyl)-2-[[4-methyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(2-chlorophenyl)-2-({5-[(4-isopropylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
| Molecular Formula | C21H23ClN4O2S |
|---|---|
| Molecular Weight | 430.12 g/mol |
| LogP | 4.9017 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 430.12302 |
| Heavy Atoms | 29 |
| Complexity | 973.0674 |
Chemical Identifiers
| CAS Number | 713095-87-5 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)OCC2=NN=C(N2C)SCC(=O)NC3=CC=CC=C3Cl |
Product Overview
AN-698/42115911 (CAS 713095-87-5), with molecular formula C21H23ClN4O2S and molecular weight 430.12 g/mol. IUPAC: N-(2-chlorophenyl)-2-[[4-methyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of AN-698/42115911
Property Insights of AN-698/42115911
The XLogP value of 4.9017 indicates that AN-698/42115911 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-698/42115911. Following Lipinski's Rule of Five, AN-698/42115911 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-698/42115911?
The CAS number of AN-698/42115911 is 713095-87-5.
What is the molecular formula of AN-698/42115911?
The molecular formula of AN-698/42115911 is C21H23ClN4O2S.
What is the molecular weight of AN-698/42115911?
The molecular weight of AN-698/42115911 is 430.12 g/mol.
Where can I buy AN-698/42115911?
You can request a quote for AN-698/42115911 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/42115911?
Yes, KEHONG BIO provides custom synthesis services for AN-698/42115911 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.