(1-phenyl-1H-1,2,3-triazol-4-yl)methyl N-ethylcarbamate
TL;DR: (1-phenyl-1H-1,2,3-triazol-4-yl)methyl N-ethylcarbamate (CAS 338757-06-5) is a chemical compound with molecular formula C12H14N4O2 and molecular weight 246.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-phenyltriazol-4-yl)methyl N-ethylcarbamate
Also Known As: (1-phenyl-1H-1,2,3-triazol-4-yl)methyl N-ethylcarbamate, (1-phenyltriazol-4-yl)methyl N-ethylcarbamate, (1-phenyl-1H-1,2,3-triazol-4-yl)methylN-ethylcarbamate, Carbamic acid, ethyl-, (1-phenyl-1H-1,2,3-triazol-4-yl)methyl ester (9CI)
| Molecular Formula | C12H14N4O2 |
|---|---|
| Molecular Weight | 246.11 g/mol |
| LogP | 1.5134 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 246.11168 |
| Heavy Atoms | 18 |
| Complexity | 509.8058 |
Chemical Identifiers
| CAS Number | 338757-06-5 |
|---|---|
| SMILES | CCNC(=O)OCC1=CN(N=N1)C2=CC=CC=C2 |
Product Overview
(1-phenyl-1H-1,2,3-triazol-4-yl)methyl N-ethylcarbamate (CAS 338757-06-5), with molecular formula C12H14N4O2 and molecular weight 246.11 g/mol. IUPAC: (1-phenyltriazol-4-yl)methyl N-ethylcarbamate.
Chemical Property Profile of (1-phenyl-1H-1,2,3-triazol-4-yl)methyl N-ethylcarbamate
Property Insights of (1-phenyl-1H-1,2,3-triazol-4-yl)methyl N-ethylcarbamate
The XLogP value of 1.5134 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1-phenyl-1H-1,2,3-triazol-4-yl)methyl N-ethylcarbamate. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for (1-phenyl-1H-1,2,3-triazol-4-yl)methyl N-ethylcarbamate. Following Lipinski's Rule of Five, (1-phenyl-1H-1,2,3-triazol-4-yl)methyl N-ethylcarbamate 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 (1-phenyl-1H-1,2,3-triazol-4-yl)methyl N-ethylcarbamate?
The CAS number of (1-phenyl-1H-1,2,3-triazol-4-yl)methyl N-ethylcarbamate is 338757-06-5.
What is the molecular formula of (1-phenyl-1H-1,2,3-triazol-4-yl)methyl N-ethylcarbamate?
The molecular formula of (1-phenyl-1H-1,2,3-triazol-4-yl)methyl N-ethylcarbamate is C12H14N4O2.
What is the molecular weight of (1-phenyl-1H-1,2,3-triazol-4-yl)methyl N-ethylcarbamate?
The molecular weight of (1-phenyl-1H-1,2,3-triazol-4-yl)methyl N-ethylcarbamate is 246.11 g/mol.
Where can I buy (1-phenyl-1H-1,2,3-triazol-4-yl)methyl N-ethylcarbamate?
You can request a quote for (1-phenyl-1H-1,2,3-triazol-4-yl)methyl N-ethylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-phenyl-1H-1,2,3-triazol-4-yl)methyl N-ethylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for (1-phenyl-1H-1,2,3-triazol-4-yl)methyl N-ethylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.