AP-970/42165913
TL;DR: AP-970/42165913 (CAS 709000-54-4) is a chemical compound with molecular formula C18H19FN4OS and molecular weight 358.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-fluorophenyl)methylsulfanyl]-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-4-amine
Also Known As: AP-970/42165913, 3-[(2-fluorobenzyl)sulfanyl]-N-(2-methoxybenzyl)-5-methyl-4H-1,2,4-triazol-4-amine, 3-[(2-fluorophenyl)methylsulfanyl]-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-4-amine, [3-(2-Fluoro-benzylsulfanyl)-5-methyl-[1,2,4]triazol-4-yl]-(2-methoxy-benzyl)-amine, N-{3-[(2-fluorobenzyl)thio]-5-methyl-4H-1,2,4-triazol-4-yl}-N-(2-methoxybenzyl)amine
| Molecular Formula | C18H19FN4OS |
|---|---|
| Molecular Weight | 358.13 g/mol |
| LogP | 3.77022 |
| Topological Polar Surface Area | 51.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 358.12637 |
| Heavy Atoms | 25 |
| Complexity | 852.5974 |
Chemical Identifiers
| CAS Number | 709000-54-4 |
|---|---|
| SMILES | CC1=NN=C(N1NCC2=CC=CC=C2OC)SCC3=CC=CC=C3F |
Product Overview
AP-970/42165913 (CAS 709000-54-4), with molecular formula C18H19FN4OS and molecular weight 358.13 g/mol. IUPAC: 3-[(2-fluorophenyl)methylsulfanyl]-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-4-amine.
Chemical Property Profile of AP-970/42165913
Property Insights of AP-970/42165913
The XLogP value of 3.77022 indicates that AP-970/42165913 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.97 Ų, AP-970/42165913 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AP-970/42165913 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 AP-970/42165913?
The CAS number of AP-970/42165913 is 709000-54-4.
What is the molecular formula of AP-970/42165913?
The molecular formula of AP-970/42165913 is C18H19FN4OS.
What is the molecular weight of AP-970/42165913?
The molecular weight of AP-970/42165913 is 358.13 g/mol.
Where can I buy AP-970/42165913?
You can request a quote for AP-970/42165913 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-970/42165913?
Yes, KEHONG BIO provides custom synthesis services for AP-970/42165913 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.