AP-970/42167119
TL;DR: AP-970/42167119 (CAS 708990-54-9) 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.
3-[(4-fluorophenyl)methylsulfanyl]-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-5-methyl-1,2,4-triazol-4-amine
Also Known As: AP-970/42167119, 3-[(4-fluorophenyl)methylsulfanyl]-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-5-methyl-1,2,4-triazol-4-amine, N-[4-(allyloxy)-3-methoxybenzyl]-N-{3-[(4-fluorobenzyl)sulfanyl]-5-methyl-4H-1,2,4-triazol-4-yl}amine, (4-Allyloxy-3-methoxy-benzyl)-[3-(4-fluoro-benzylsulfanyl)-5-methyl-[1,2,4]triazol-4-yl]-amine
| Molecular Formula | C21H23FN4O2S |
|---|---|
| Molecular Weight | 414.15 g/mol |
| LogP | 4.33502 |
| Topological Polar Surface Area | 61.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 414.1526 |
| Heavy Atoms | 29 |
| Complexity | 959.815 |
Chemical Identifiers
| CAS Number | 708990-54-9 |
|---|---|
| SMILES | CC1=NN=C(N1NCC2=CC(=C(C=C2)OCC=C)OC)SCC3=CC=C(C=C3)F |
Product Overview
AP-970/42167119 (CAS 708990-54-9), with molecular formula C21H23FN4O2S and molecular weight 414.15 g/mol. IUPAC: 3-[(4-fluorophenyl)methylsulfanyl]-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-5-methyl-1,2,4-triazol-4-amine.
Chemical Property Profile of AP-970/42167119
Property Insights of AP-970/42167119
The XLogP value of 4.33502 indicates that AP-970/42167119 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-970/42167119. Following Lipinski's Rule of Five, AP-970/42167119 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-970/42167119?
The CAS number of AP-970/42167119 is 708990-54-9.
What is the molecular formula of AP-970/42167119?
The molecular formula of AP-970/42167119 is C21H23FN4O2S.
What is the molecular weight of AP-970/42167119?
The molecular weight of AP-970/42167119 is 414.15 g/mol.
Where can I buy AP-970/42167119?
You can request a quote for AP-970/42167119 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-970/42167119?
Yes, KEHONG BIO provides custom synthesis services for AP-970/42167119 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.