AN-698/42587959
TL;DR: AN-698/42587959 (CAS 701933-24-6) is a chemical compound with molecular formula C23H26N4O2S and molecular weight 422.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(4-methoxyphenyl)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylethyl)acetamide
Also Known As: AN-698/42587959, 2-{[5-(4-methoxybenzyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-phenylethyl)acetamide, 2-[[5-[(4-methoxyphenyl)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylethyl)acetamide, 2-{[4-allyl-5-(4-methoxybenzyl)-4H-1,2,4-triazol-3-yl]thio}-N-(2-phenylethyl)acetamide, 2-[[5-[(4-methoxyphenyl)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide
| Molecular Formula | C23H26N4O2S |
|---|---|
| Molecular Weight | 422.18 g/mol |
| LogP | 3.5145 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 422.17764 |
| Heavy Atoms | 30 |
| Complexity | 955.09424 |
Chemical Identifiers
| CAS Number | 701933-24-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CC2=NN=C(N2CC=C)SCC(=O)NCCC3=CC=CC=C3 |
Product Overview
AN-698/42587959 (CAS 701933-24-6), with molecular formula C23H26N4O2S and molecular weight 422.18 g/mol. IUPAC: 2-[[5-[(4-methoxyphenyl)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylethyl)acetamide.
Chemical Property Profile of AN-698/42587959
Property Insights of AN-698/42587959
The XLogP value of 3.5145 indicates that AN-698/42587959 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-698/42587959. Following Lipinski's Rule of Five, AN-698/42587959 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-698/42587959?
The CAS number of AN-698/42587959 is 701933-24-6.
What is the molecular formula of AN-698/42587959?
The molecular formula of AN-698/42587959 is C23H26N4O2S.
What is the molecular weight of AN-698/42587959?
The molecular weight of AN-698/42587959 is 422.18 g/mol.
Where can I buy AN-698/42587959?
You can request a quote for AN-698/42587959 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/42587959?
Yes, KEHONG BIO provides custom synthesis services for AN-698/42587959 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.