AN-698/42113970
TL;DR: AN-698/42113970 (CAS 694486-22-1) is a chemical compound with molecular formula C21H22ClFN4O2S and molecular weight 448.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-fluorophenyl)-2-[[4-(2-methoxyethyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: AN-698/42113970, N-(3-chloro-4-fluorophenyl)-2-[[4-(2-methoxyethyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(3-chloro-4-fluorophenyl)-2-{[4-(2-methoxyethyl)-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(3-chloro-4-fluorophenyl)-2-[[4-(2-methoxyethyl)-5-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C21H22ClFN4O2S |
|---|---|
| Molecular Weight | 448.11 g/mol |
| LogP | 4.233 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 448.11362 |
| Heavy Atoms | 30 |
| Complexity | 984.39264 |
Chemical Identifiers
| CAS Number | 694486-22-1 |
|---|---|
| SMILES | COCCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)F)Cl)CCC3=CC=CC=C3 |
Product Overview
AN-698/42113970 (CAS 694486-22-1), with molecular formula C21H22ClFN4O2S and molecular weight 448.11 g/mol. IUPAC: N-(3-chloro-4-fluorophenyl)-2-[[4-(2-methoxyethyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of AN-698/42113970
Property Insights of AN-698/42113970
The XLogP value of 4.233 indicates that AN-698/42113970 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-698/42113970. Following Lipinski's Rule of Five, AN-698/42113970 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-698/42113970?
The CAS number of AN-698/42113970 is 694486-22-1.
What is the molecular formula of AN-698/42113970?
The molecular formula of AN-698/42113970 is C21H22ClFN4O2S.
What is the molecular weight of AN-698/42113970?
The molecular weight of AN-698/42113970 is 448.11 g/mol.
Where can I buy AN-698/42113970?
You can request a quote for AN-698/42113970 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/42113970?
Yes, KEHONG BIO provides custom synthesis services for AN-698/42113970 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.