AP-970/42167058
TL;DR: AP-970/42167058 (CAS 708292-77-7) is a chemical compound with molecular formula C21H23FN4O2S and molecular weight 414.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]-3-[(2-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine
Also Known As: AP-970/42167058, N-[4-(allyloxy)-3-ethoxybenzyl]-N-{3-[(2-fluorobenzyl)thio]-4H-1,2,4-triazol-4-yl}amine, N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]-3-[(2-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine, (4-Allyloxy-3-ethoxy-benzyl)-[3-(2-fluoro-benzylsulfanyl)-[1,2,4]triazol-4-yl]-amine, N-[3-ethoxy-4-(prop-2-en-1-yloxy)benzyl]-3-[(2-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine
| Molecular Formula | C21H23FN4O2S |
|---|---|
| Molecular Weight | 414.15 g/mol |
| LogP | 4.4167 |
| Topological Polar Surface Area | 61.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 414.1526 |
| Heavy Atoms | 29 |
| Complexity | 947.9355 |
Chemical Identifiers
| CAS Number | 708292-77-7 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)CNN2C=NN=C2SCC3=CC=CC=C3F)OCC=C |
Product Overview
AP-970/42167058 (CAS 708292-77-7), with molecular formula C21H23FN4O2S and molecular weight 414.15 g/mol. IUPAC: N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]-3-[(2-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine.
Chemical Property Profile of AP-970/42167058
Property Insights of AP-970/42167058
The XLogP value of 4.4167 indicates that AP-970/42167058 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.2 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-970/42167058. Following Lipinski's Rule of Five, AP-970/42167058 has 1 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 AP-970/42167058?
The CAS number of AP-970/42167058 is 708292-77-7.
What is the molecular formula of AP-970/42167058?
The molecular formula of AP-970/42167058 is C21H23FN4O2S.
What is the molecular weight of AP-970/42167058?
The molecular weight of AP-970/42167058 is 414.15 g/mol.
Where can I buy AP-970/42167058?
You can request a quote for AP-970/42167058 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-970/42167058?
Yes, KEHONG BIO provides custom synthesis services for AP-970/42167058 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.