Mdl 27266
TL;DR: Mdl 27266 (CAS 116114-14-8) is a chemical compound with molecular formula C11H12ClN3O and molecular weight 237.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chlorophenyl)-4-ethyl-2-methyl-1,2,4-triazol-3-one
Also Known As: Mdl 27266, Thiazolidine,2-cyclohexyl-5-methyl, 5-(4-chlorophenyl)-4-ethyl-2-methyl-1,2,4-triazol-3-one, 2,4-Dihydro-5-(4-chlorophenyl)-4-ethyl-2-methyl-3H-1,2,4-triazol-3-one, 3H-1,2,4-Triazol-3-one, 5-(4-chlorophenyl)-4-ethyl-2,4-dihydro-2-methyl-
| Molecular Formula | C11H12ClN3O |
|---|---|
| Molecular Weight | 237.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 35.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.0669 |
| Heavy Atoms | 16 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 116114-14-8 |
|---|---|
| SMILES | CCN1C(=NN(C1=O)C)C2=CC=C(C=C2)Cl |
| InChIKey | HXPJLBHKHCQJBB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Mdl 27266 (CAS 116114-14-8), with molecular formula C11H12ClN3O and molecular weight 237.07 g/mol. IUPAC: 5-(4-chlorophenyl)-4-ethyl-2-methyl-1,2,4-triazol-3-one.
Chemical Property Profile of Mdl 27266
Property Insights of Mdl 27266
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mdl 27266. With a topological polar surface area (TPSA) of 35.9 Ų, Mdl 27266 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Mdl 27266 has 0 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 Mdl 27266?
The CAS number of Mdl 27266 is 116114-14-8.
What is the molecular formula of Mdl 27266?
The molecular formula of Mdl 27266 is C11H12ClN3O.
What is the molecular weight of Mdl 27266?
The molecular weight of Mdl 27266 is 237.07 g/mol.
Where can I buy Mdl 27266?
You can request a quote for Mdl 27266 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mdl 27266?
Yes, KEHONG BIO provides custom synthesis services for Mdl 27266 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.