AP-970/42165971
TL;DR: AP-970/42165971 (CAS 708290-84-0) is a chemical compound with molecular formula C16H14BrFN4S and molecular weight 392.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-bromophenyl)methyl]-3-[(2-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine
Also Known As: AP-970/42165971, N-(3-bromobenzyl)-3-[(2-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine, N-[(3-bromophenyl)methyl]-3-[(2-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine, (3-Bromo-benzyl)-[3-(2-fluoro-benzylsulfanyl)-[1,2,4]triazol-4-yl]-amine, N-(3-bromobenzyl)-N-{3-[(2-fluorobenzyl)thio]-4H-1,2,4-triazol-4-yl}amine
| Molecular Formula | C16H14BrFN4S |
|---|---|
| Molecular Weight | 392.01 g/mol |
| LogP | 4.2157 |
| Topological Polar Surface Area | 42.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 392.01065 |
| Heavy Atoms | 23 |
| Complexity | 793.0112 |
Chemical Identifiers
| CAS Number | 708290-84-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CSC2=NN=CN2NCC3=CC(=CC=C3)Br)F |
Product Overview
AP-970/42165971 (CAS 708290-84-0), with molecular formula C16H14BrFN4S and molecular weight 392.01 g/mol. IUPAC: N-[(3-bromophenyl)methyl]-3-[(2-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine.
Chemical Property Profile of AP-970/42165971
Property Insights of AP-970/42165971
The XLogP value of 4.2157 indicates that AP-970/42165971 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.74 Ų, AP-970/42165971 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AP-970/42165971 has 1 hydrogen bond donor(s) and 4 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-970/42165971?
The CAS number of AP-970/42165971 is 708290-84-0.
What is the molecular formula of AP-970/42165971?
The molecular formula of AP-970/42165971 is C16H14BrFN4S.
What is the molecular weight of AP-970/42165971?
The molecular weight of AP-970/42165971 is 392.01 g/mol.
Where can I buy AP-970/42165971?
You can request a quote for AP-970/42165971 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-970/42165971?
Yes, KEHONG BIO provides custom synthesis services for AP-970/42165971 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.