AB01331577-02
TL;DR: AB01331577-02 (CAS 849030-69-9) is a chemical compound with molecular formula C17H22ClN3O2S and molecular weight 367.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[5-[(4-chlorophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one
Also Known As: AB01331577-02, 1-({5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-3,3-dimethylbutan-2-one, 1-{5-[(4-chlorophenoxy)methyl]-4-ethyl(1,2,4-triazol-3-ylthio)}-3,3-dimethylbu tan-2-one, 1-((5-((4-chlorophenoxy)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-3,3-dimethylbutan-2-one, 1-[[5-[(4-chlorophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one
| Molecular Formula | C17H22ClN3O2S |
|---|---|
| Molecular Weight | 367.11 g/mol |
| LogP | 4.2377 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 367.11212 |
| Heavy Atoms | 24 |
| Complexity | 692.8515 |
Chemical Identifiers
| CAS Number | 849030-69-9 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)C(C)(C)C)COC2=CC=C(C=C2)Cl |
Product Overview
AB01331577-02 (CAS 849030-69-9), with molecular formula C17H22ClN3O2S and molecular weight 367.11 g/mol. IUPAC: 1-[[5-[(4-chlorophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one.
Chemical Property Profile of AB01331577-02
Property Insights of AB01331577-02
The XLogP value of 4.2377 indicates that AB01331577-02 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.01 Ų, AB01331577-02 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB01331577-02 has 0 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 AB01331577-02?
The CAS number of AB01331577-02 is 849030-69-9.
What is the molecular formula of AB01331577-02?
The molecular formula of AB01331577-02 is C17H22ClN3O2S.
What is the molecular weight of AB01331577-02?
The molecular weight of AB01331577-02 is 367.11 g/mol.
Where can I buy AB01331577-02?
You can request a quote for AB01331577-02 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01331577-02?
Yes, KEHONG BIO provides custom synthesis services for AB01331577-02 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.