RefChem:156158
TL;DR: RefChem:156158 (CAS 31409-32-2) is a chemical compound with molecular formula C10H10ClN3O and molecular weight 223.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-4-ethyl-1H-1,2,4-triazol-5-one
Also Known As: 4H-1,2,4-Triazol-3-ol, 5-(p-chlorophenyl)-4-ethyl-, SID:134223227, 3-(4-chlorophenyl)-4-ethyl-1H-1,2,4-triazol-5-one, 3H-1,2,4-Triazol-3-one, 5-(4-chlorophenyl)-4-ethyl-2,4-dihydro-, 5-(4-Chloro-phenyl)-4-ethyl-2,4-dihydro-[1,2,4]triazol-3-one
| Molecular Formula | C10H10ClN3O |
|---|---|
| Molecular Weight | 223.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 44.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.05124 |
| Heavy Atoms | 15 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 31409-32-2 |
|---|---|
| SMILES | CCN1C(=NNC1=O)C2=CC=C(C=C2)Cl |
| InChIKey | PXINDYJACXPZIN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:156158 (CAS 31409-32-2), with molecular formula C10H10ClN3O and molecular weight 223.05 g/mol. IUPAC: 3-(4-chlorophenyl)-4-ethyl-1H-1,2,4-triazol-5-one.
Chemical Property Profile of RefChem:156158
Property Insights of RefChem:156158
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:156158. With a topological polar surface area (TPSA) of 44.7 Ų, RefChem:156158 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:156158 has 1 hydrogen bond donor(s) and 2 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 RefChem:156158?
The CAS number of RefChem:156158 is 31409-32-2.
What is the molecular formula of RefChem:156158?
The molecular formula of RefChem:156158 is C10H10ClN3O.
What is the molecular weight of RefChem:156158?
The molecular weight of RefChem:156158 is 223.05 g/mol.
Where can I buy RefChem:156158?
You can request a quote for RefChem:156158 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:156158?
Yes, KEHONG BIO provides custom synthesis services for RefChem:156158 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.