(1,3-Benzoxazol-2-yl)(3-(trifluoromethyl)phenyl)methyl N-methylcarbamate
TL;DR: (1,3-Benzoxazol-2-yl)(3-(trifluoromethyl)phenyl)methyl N-methylcarbamate (CAS 104029-77-8) is a chemical compound with molecular formula C17H13F3N2O3 and molecular weight 350.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1,3-benzoxazol-2-yl-[3-(trifluoromethyl)phenyl]methyl] N-methylcarbamate
Also Known As: KST-1A9875, 1,3-benzoxazol-2-yl[3-(trifluoromethyl)phenyl]methyl methylcarbamate, (1,3-Benzoxazol-2-yl)(3-(trifluoromethyl)phenyl)methyl N-methylcarbamate, [1,3-benzoxazol-2-yl-[3-(trifluoromethyl)phenyl]methyl] N-methylcarbamate, [benzooxazol-2-yl-[3-(trifluoromethyl)phenyl]methyl] N-methylcarbamate
| Molecular Formula | C17H13F3N2O3 |
|---|---|
| Molecular Weight | 350.09 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.08783 |
| Heavy Atoms | 25 |
| Complexity | 475.0 |
Chemical Identifiers
| CAS Number | 104029-77-8 |
|---|---|
| SMILES | CNC(=O)OC(C1=CC(=CC=C1)C(F)(F)F)C2=NC3=CC=CC=C3O2 |
| InChIKey | MPOJWQJZERRINS-UHFFFAOYSA-N |
Product Overview
(1,3-Benzoxazol-2-yl)(3-(trifluoromethyl)phenyl)methyl N-methylcarbamate (CAS 104029-77-8), with molecular formula C17H13F3N2O3 and molecular weight 350.09 g/mol. IUPAC: [1,3-benzoxazol-2-yl-[3-(trifluoromethyl)phenyl]methyl] N-methylcarbamate.
Chemical Property Profile of (1,3-Benzoxazol-2-yl)(3-(trifluoromethyl)phenyl)methyl N-methylcarbamate
Property Insights of (1,3-Benzoxazol-2-yl)(3-(trifluoromethyl)phenyl)methyl N-methylcarbamate
The XLogP value of 3.9 indicates that (1,3-Benzoxazol-2-yl)(3-(trifluoromethyl)phenyl)methyl N-methylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (1,3-Benzoxazol-2-yl)(3-(trifluoromethyl)phenyl)methyl N-methylcarbamate. Following Lipinski's Rule of Five, (1,3-Benzoxazol-2-yl)(3-(trifluoromethyl)phenyl)methyl N-methylcarbamate has 1 hydrogen bond donor(s) and 7 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 (1,3-Benzoxazol-2-yl)(3-(trifluoromethyl)phenyl)methyl N-methylcarbamate?
The CAS number of (1,3-Benzoxazol-2-yl)(3-(trifluoromethyl)phenyl)methyl N-methylcarbamate is 104029-77-8.
What is the molecular formula of (1,3-Benzoxazol-2-yl)(3-(trifluoromethyl)phenyl)methyl N-methylcarbamate?
The molecular formula of (1,3-Benzoxazol-2-yl)(3-(trifluoromethyl)phenyl)methyl N-methylcarbamate is C17H13F3N2O3.
What is the molecular weight of (1,3-Benzoxazol-2-yl)(3-(trifluoromethyl)phenyl)methyl N-methylcarbamate?
The molecular weight of (1,3-Benzoxazol-2-yl)(3-(trifluoromethyl)phenyl)methyl N-methylcarbamate is 350.09 g/mol.
Where can I buy (1,3-Benzoxazol-2-yl)(3-(trifluoromethyl)phenyl)methyl N-methylcarbamate?
You can request a quote for (1,3-Benzoxazol-2-yl)(3-(trifluoromethyl)phenyl)methyl N-methylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,3-Benzoxazol-2-yl)(3-(trifluoromethyl)phenyl)methyl N-methylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for (1,3-Benzoxazol-2-yl)(3-(trifluoromethyl)phenyl)methyl N-methylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.