AN-698/42113571
TL;DR: AN-698/42113571 (CAS 663204-12-4) is a chemical compound with molecular formula C24H28N4O3S and molecular weight 452.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-ethoxyphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone
Also Known As: AN-698/42113571, 4-({[4-(4-ethoxyphenyl)-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)morpholine, 2-[[4-(4-ethoxyphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone, 2-[[4-(4-ethoxyphenyl)-5-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone, 2-{[4-(4-ethoxyphenyl)-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethanone
| Molecular Formula | C24H28N4O3S |
|---|---|
| Molecular Weight | 452.19 g/mol |
| LogP | 3.4021 |
| Topological Polar Surface Area | 69.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 452.1882 |
| Heavy Atoms | 32 |
| Complexity | 1001.8436 |
Chemical Identifiers
| CAS Number | 663204-12-4 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3CCOCC3)CCC4=CC=CC=C4 |
Product Overview
AN-698/42113571 (CAS 663204-12-4), with molecular formula C24H28N4O3S and molecular weight 452.19 g/mol. IUPAC: 2-[[4-(4-ethoxyphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone.
Chemical Property Profile of AN-698/42113571
Property Insights of AN-698/42113571
The XLogP value of 3.4021 indicates that AN-698/42113571 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.48 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-698/42113571. Following Lipinski's Rule of Five, AN-698/42113571 has 0 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-698/42113571?
The CAS number of AN-698/42113571 is 663204-12-4.
What is the molecular formula of AN-698/42113571?
The molecular formula of AN-698/42113571 is C24H28N4O3S.
What is the molecular weight of AN-698/42113571?
The molecular weight of AN-698/42113571 is 452.19 g/mol.
Where can I buy AN-698/42113571?
You can request a quote for AN-698/42113571 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/42113571?
Yes, KEHONG BIO provides custom synthesis services for AN-698/42113571 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.