AB01334900-02
TL;DR: AB01334900-02 (CAS 588692-14-2) is a chemical compound with molecular formula C15H18ClN3O2S and molecular weight 339.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-chloro-5-methylphenoxy)methyl]-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione
Also Known As: AB01334900-02, 5-[(2-chloro-5-methylphenoxy)methyl]-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazole-3-thiol, 5-[(2-Chloro-5-methylphenoxy)methyl]-2,4-dihydro-4-[(tetrahydro-2-furanyl)methyl]-3H-1,2,4-triazole-3-thione, 3-[(2-chloro-5-methylphenoxy)methyl]-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione, 5-[(2-chloro-5-methyl-phenoxy)methyl]-4-(oxolan-2-ylmethyl)-2H-1,2,4-triazole-3-thione
| Molecular Formula | C15H18ClN3O2S |
|---|---|
| Molecular Weight | 339.08 g/mol |
| LogP | 3.66051 |
| Topological Polar Surface Area | 52.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.0808 |
| Heavy Atoms | 22 |
| Complexity | 707.0534 |
Chemical Identifiers
| CAS Number | 588692-14-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)Cl)OCC2=NNC(=S)N2CC3CCCO3 |
Product Overview
AB01334900-02 (CAS 588692-14-2), with molecular formula C15H18ClN3O2S and molecular weight 339.08 g/mol. IUPAC: 3-[(2-chloro-5-methylphenoxy)methyl]-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of AB01334900-02
Property Insights of AB01334900-02
The XLogP value of 3.66051 indicates that AB01334900-02 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.07 Ų, AB01334900-02 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB01334900-02 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 AB01334900-02?
The CAS number of AB01334900-02 is 588692-14-2.
What is the molecular formula of AB01334900-02?
The molecular formula of AB01334900-02 is C15H18ClN3O2S.
What is the molecular weight of AB01334900-02?
The molecular weight of AB01334900-02 is 339.08 g/mol.
Where can I buy AB01334900-02?
You can request a quote for AB01334900-02 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01334900-02?
Yes, KEHONG BIO provides custom synthesis services for AB01334900-02 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.