AP-970/42165973
TL;DR: AP-970/42165973 (CAS 709002-31-3) is a chemical compound with molecular formula C17H16BrFN4OS and molecular weight 422.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5-bromo-2-methoxyphenyl)methyl]-3-[(2-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine
Also Known As: AP-970/42165973, N-(5-bromo-2-methoxybenzyl)-3-[(2-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine, N-[(5-bromo-2-methoxyphenyl)methyl]-3-[(2-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine, (5-Bromo-2-methoxy-benzyl)-[3-(2-fluoro-benzylsulfanyl)-[1,2,4]triazol-4-yl]-amine, N-(5-bromo-2-methoxybenzyl)-N-{3-[(2-fluorobenzyl)thio]-4H-1,2,4-triazol-4-yl}amine
| Molecular Formula | C17H16BrFN4OS |
|---|---|
| Molecular Weight | 422.02 g/mol |
| LogP | 4.2243 |
| Topological Polar Surface Area | 51.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 422.0212 |
| Heavy Atoms | 25 |
| Complexity | 858.1692 |
Chemical Identifiers
| CAS Number | 709002-31-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Br)CNN2C=NN=C2SCC3=CC=CC=C3F |
Product Overview
AP-970/42165973 (CAS 709002-31-3), with molecular formula C17H16BrFN4OS and molecular weight 422.02 g/mol. IUPAC: N-[(5-bromo-2-methoxyphenyl)methyl]-3-[(2-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine.
Chemical Property Profile of AP-970/42165973
Property Insights of AP-970/42165973
The XLogP value of 4.2243 indicates that AP-970/42165973 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-970/42165973 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AP-970/42165973 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-970/42165973?
The CAS number of AP-970/42165973 is 709002-31-3.
What is the molecular formula of AP-970/42165973?
The molecular formula of AP-970/42165973 is C17H16BrFN4OS.
What is the molecular weight of AP-970/42165973?
The molecular weight of AP-970/42165973 is 422.02 g/mol.
Where can I buy AP-970/42165973?
You can request a quote for AP-970/42165973 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-970/42165973?
Yes, KEHONG BIO provides custom synthesis services for AP-970/42165973 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.