(1,3-Benzoxazol-2-yl)(3-methylphenyl)methyl N-ethylcarbamate
TL;DR: (1,3-Benzoxazol-2-yl)(3-methylphenyl)methyl N-ethylcarbamate (CAS 104029-83-6) is a chemical compound with molecular formula C18H18N2O3 and molecular weight 310.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1,3-benzoxazol-2-yl-(3-methylphenyl)methyl] N-ethylcarbamate
Also Known As: KST-1A9878, Benzo[d]oxazol-2-yl(m-tolyl)methyl ethylcarbamate, 1,3-benzoxazol-2-yl(3-methylphenyl)methyl ethylcarbamate, (1,3-Benzoxazol-2-yl)(3-methylphenyl)methyl N-ethylcarbamate, [1,3-benzoxazol-2-yl-(3-methylphenyl)methyl] N-ethylcarbamate
| Molecular Formula | C18H18N2O3 |
|---|---|
| Molecular Weight | 310.13 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 310.13174 |
| Heavy Atoms | 23 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 104029-83-6 |
|---|---|
| SMILES | CCNC(=O)OC(C1=CC=CC(=C1)C)C2=NC3=CC=CC=C3O2 |
| InChIKey | ZAHDUHNBXCJVGP-UHFFFAOYSA-N |
Product Overview
(1,3-Benzoxazol-2-yl)(3-methylphenyl)methyl N-ethylcarbamate (CAS 104029-83-6), with molecular formula C18H18N2O3 and molecular weight 310.13 g/mol. IUPAC: [1,3-benzoxazol-2-yl-(3-methylphenyl)methyl] N-ethylcarbamate.
Chemical Property Profile of (1,3-Benzoxazol-2-yl)(3-methylphenyl)methyl N-ethylcarbamate
Property Insights of (1,3-Benzoxazol-2-yl)(3-methylphenyl)methyl N-ethylcarbamate
The XLogP value of 3.7 indicates that (1,3-Benzoxazol-2-yl)(3-methylphenyl)methyl N-ethylcarbamate 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-methylphenyl)methyl N-ethylcarbamate. Following Lipinski's Rule of Five, (1,3-Benzoxazol-2-yl)(3-methylphenyl)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 (1,3-Benzoxazol-2-yl)(3-methylphenyl)methyl N-ethylcarbamate?
The CAS number of (1,3-Benzoxazol-2-yl)(3-methylphenyl)methyl N-ethylcarbamate is 104029-83-6.
What is the molecular formula of (1,3-Benzoxazol-2-yl)(3-methylphenyl)methyl N-ethylcarbamate?
The molecular formula of (1,3-Benzoxazol-2-yl)(3-methylphenyl)methyl N-ethylcarbamate is C18H18N2O3.
What is the molecular weight of (1,3-Benzoxazol-2-yl)(3-methylphenyl)methyl N-ethylcarbamate?
The molecular weight of (1,3-Benzoxazol-2-yl)(3-methylphenyl)methyl N-ethylcarbamate is 310.13 g/mol.
Where can I buy (1,3-Benzoxazol-2-yl)(3-methylphenyl)methyl N-ethylcarbamate?
You can request a quote for (1,3-Benzoxazol-2-yl)(3-methylphenyl)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 (1,3-Benzoxazol-2-yl)(3-methylphenyl)methyl N-ethylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for (1,3-Benzoxazol-2-yl)(3-methylphenyl)methyl N-ethylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.