2-(4-chloro-2-methylphenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide
TL;DR: 2-(4-chloro-2-methylphenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide (CAS 91192-94-8) is a chemical compound with molecular formula C11H11ClN4O2 and molecular weight 266.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chloro-2-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
Also Known As: 2-(4-chloro-2-methylphenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide, BIM-0001930.P001, 2-(4-chloro-2-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide, 2-(4-chloro-2-methylphenoxy)-N-4H-1,2,4-triazol-3-ylacetamide, N-(4H-1,2,4-triazol-3-yl)-2-(4-chloro-2-methylphenoxy)acetamide
| Molecular Formula | C11H11ClN4O2 |
|---|---|
| Molecular Weight | 266.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 79.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 266.05707 |
| Heavy Atoms | 18 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 91192-94-8 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)OCC(=O)NC2=NC=NN2 |
| InChIKey | MFXVPCCOHPNBJV-UHFFFAOYSA-N |
Product Overview
2-(4-chloro-2-methylphenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide (CAS 91192-94-8), with molecular formula C11H11ClN4O2 and molecular weight 266.06 g/mol. IUPAC: 2-(4-chloro-2-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide.
Chemical Property Profile of 2-(4-chloro-2-methylphenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide
Property Insights of 2-(4-chloro-2-methylphenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-chloro-2-methylphenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide. The TPSA of 79.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-chloro-2-methylphenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide. Following Lipinski's Rule of Five, 2-(4-chloro-2-methylphenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide has 2 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 2-(4-chloro-2-methylphenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide?
The CAS number of 2-(4-chloro-2-methylphenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide is 91192-94-8.
What is the molecular formula of 2-(4-chloro-2-methylphenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide?
The molecular formula of 2-(4-chloro-2-methylphenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide is C11H11ClN4O2.
What is the molecular weight of 2-(4-chloro-2-methylphenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide?
The molecular weight of 2-(4-chloro-2-methylphenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide is 266.06 g/mol.
Where can I buy 2-(4-chloro-2-methylphenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide?
You can request a quote for 2-(4-chloro-2-methylphenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-chloro-2-methylphenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-chloro-2-methylphenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.