AP-970/42167638
TL;DR: AP-970/42167638 (CAS 709003-74-7) is a chemical compound with molecular formula C19H19ClN4OS and molecular weight 386.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-chlorophenyl)methylsulfanyl]-N-[(4-prop-2-enoxyphenyl)methyl]-1,2,4-triazol-4-amine
Also Known As: AP-970/42167638, 3-[(2-chlorophenyl)methylsulfanyl]-N-[(4-prop-2-enoxyphenyl)methyl]-1,2,4-triazol-4-amine, N-[4-(allyloxy)benzyl]-N-{3-[(2-chlorobenzyl)thio]-4H-1,2,4-triazol-4-yl}amine, (4-Allyloxy-benzyl)-[3-(2-chloro-benzylsulfanyl)-[1,2,4]triazol-4-yl]-amine, 3-[(2-chlorobenzyl)sulfanyl]-N-[4-(prop-2-en-1-yloxy)benzyl]-4H-1,2,4-triazol-4-amine
| Molecular Formula | C19H19ClN4OS |
|---|---|
| Molecular Weight | 386.10 g/mol |
| LogP | 4.5323 |
| Topological Polar Surface Area | 51.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 386.0968 |
| Heavy Atoms | 26 |
| Complexity | 850.75525 |
Chemical Identifiers
| CAS Number | 709003-74-7 |
|---|---|
| SMILES | C=CCOC1=CC=C(C=C1)CNN2C=NN=C2SCC3=CC=CC=C3Cl |
Product Overview
AP-970/42167638 (CAS 709003-74-7), with molecular formula C19H19ClN4OS and molecular weight 386.10 g/mol. IUPAC: 3-[(2-chlorophenyl)methylsulfanyl]-N-[(4-prop-2-enoxyphenyl)methyl]-1,2,4-triazol-4-amine.
Chemical Property Profile of AP-970/42167638
Property Insights of AP-970/42167638
The XLogP value of 4.5323 indicates that AP-970/42167638 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-970/42167638 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AP-970/42167638 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-970/42167638?
The CAS number of AP-970/42167638 is 709003-74-7.
What is the molecular formula of AP-970/42167638?
The molecular formula of AP-970/42167638 is C19H19ClN4OS.
What is the molecular weight of AP-970/42167638?
The molecular weight of AP-970/42167638 is 386.10 g/mol.
Where can I buy AP-970/42167638?
You can request a quote for AP-970/42167638 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-970/42167638?
Yes, KEHONG BIO provides custom synthesis services for AP-970/42167638 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.