AB01334963-02
TL;DR: AB01334963-02 (CAS 588682-92-2) is a chemical compound with molecular formula C16H22ClN3OS and molecular weight 339.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(4-chloro-3-methylphenoxy)propan-2-yl]-4-(2-methylpropyl)-1H-1,2,4-triazole-5-thione
Also Known As: AB01334963-02, 3-[2-(4-chloro-3-methylphenoxy)propan-2-yl]-4-(2-methylpropyl)-1H-1,2,4-triazole-5-thione, 5-[1-(4-chloro-3-methylphenoxy)-isopropyl]-4-(2-methylpropyl)-1,2,4-triazole-3 -thiol, 5-[2-(4-chloro-3-methyl-phenoxy)propan-2-yl]-4-(2-methylpropyl)-2H-1,2,4-triazole-3-thione, 5-[2-(4-chloro-3-methylphenoxy)propan-2-yl]-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C16H22ClN3OS |
|---|---|
| Molecular Weight | 339.12 g/mol |
| LogP | 4.87261 |
| Topological Polar Surface Area | 42.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.11722 |
| Heavy Atoms | 22 |
| Complexity | 718.42126 |
Chemical Identifiers
| CAS Number | 588682-92-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OC(C)(C)C2=NNC(=S)N2CC(C)C)Cl |
Product Overview
AB01334963-02 (CAS 588682-92-2), with molecular formula C16H22ClN3OS and molecular weight 339.12 g/mol. IUPAC: 3-[2-(4-chloro-3-methylphenoxy)propan-2-yl]-4-(2-methylpropyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of AB01334963-02
Property Insights of AB01334963-02
The XLogP value of 4.87261 indicates that AB01334963-02 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.84 Ų, AB01334963-02 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB01334963-02 has 1 hydrogen bond donor(s) and 3 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 AB01334963-02?
The CAS number of AB01334963-02 is 588682-92-2.
What is the molecular formula of AB01334963-02?
The molecular formula of AB01334963-02 is C16H22ClN3OS.
What is the molecular weight of AB01334963-02?
The molecular weight of AB01334963-02 is 339.12 g/mol.
Where can I buy AB01334963-02?
You can request a quote for AB01334963-02 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01334963-02?
Yes, KEHONG BIO provides custom synthesis services for AB01334963-02 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.