1,3-Benzoxazol-2-yl-(2-chloro-6-fluorophenyl)methyl N-ethylcarbamate
TL;DR: 1,3-Benzoxazol-2-yl-(2-chloro-6-fluorophenyl)methyl N-ethylcarbamate (CAS 104029-78-9) is a chemical compound with molecular formula C17H14ClFN2O3 and molecular weight 348.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1,3-benzoxazol-2-yl-(2-chloro-6-fluorophenyl)methyl] N-ethylcarbamate
Also Known As: KST-1A9876, 1,3-benzoxazol-2-yl(2-chloro-6-fluorophenyl)methyl ethylcarbamate, 1,3-Benzoxazol-2-yl-(2-chloro-6-fluorophenyl)methyl N-ethylcarbamate, Benzo[d]oxazol-2-yl(2-chloro-6-fluorophenyl)methyl ethylcarbamate, Carbamic acid, ethyl-, 2-benzoxazolyl(2-chloro-6-fluorophenyl)methyl ester
| Molecular Formula | C17H14ClFN2O3 |
|---|---|
| Molecular Weight | 348.07 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 348.0677 |
| Heavy Atoms | 24 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 104029-78-9 |
|---|---|
| SMILES | CCNC(=O)OC(C1=C(C=CC=C1Cl)F)C2=NC3=CC=CC=C3O2 |
| InChIKey | KOAWOOGPBPISMR-UHFFFAOYSA-N |
Product Overview
1,3-Benzoxazol-2-yl-(2-chloro-6-fluorophenyl)methyl N-ethylcarbamate (CAS 104029-78-9), with molecular formula C17H14ClFN2O3 and molecular weight 348.07 g/mol. IUPAC: [1,3-benzoxazol-2-yl-(2-chloro-6-fluorophenyl)methyl] N-ethylcarbamate.
Chemical Property Profile of 1,3-Benzoxazol-2-yl-(2-chloro-6-fluorophenyl)methyl N-ethylcarbamate
Property Insights of 1,3-Benzoxazol-2-yl-(2-chloro-6-fluorophenyl)methyl N-ethylcarbamate
The XLogP value of 4.1 indicates that 1,3-Benzoxazol-2-yl-(2-chloro-6-fluorophenyl)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-(2-chloro-6-fluorophenyl)methyl N-ethylcarbamate. Following Lipinski's Rule of Five, 1,3-Benzoxazol-2-yl-(2-chloro-6-fluorophenyl)methyl N-ethylcarbamate has 1 hydrogen bond donor(s) and 5 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-(2-chloro-6-fluorophenyl)methyl N-ethylcarbamate?
The CAS number of 1,3-Benzoxazol-2-yl-(2-chloro-6-fluorophenyl)methyl N-ethylcarbamate is 104029-78-9.
What is the molecular formula of 1,3-Benzoxazol-2-yl-(2-chloro-6-fluorophenyl)methyl N-ethylcarbamate?
The molecular formula of 1,3-Benzoxazol-2-yl-(2-chloro-6-fluorophenyl)methyl N-ethylcarbamate is C17H14ClFN2O3.
What is the molecular weight of 1,3-Benzoxazol-2-yl-(2-chloro-6-fluorophenyl)methyl N-ethylcarbamate?
The molecular weight of 1,3-Benzoxazol-2-yl-(2-chloro-6-fluorophenyl)methyl N-ethylcarbamate is 348.07 g/mol.
Where can I buy 1,3-Benzoxazol-2-yl-(2-chloro-6-fluorophenyl)methyl N-ethylcarbamate?
You can request a quote for 1,3-Benzoxazol-2-yl-(2-chloro-6-fluorophenyl)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-(2-chloro-6-fluorophenyl)methyl N-ethylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzoxazol-2-yl-(2-chloro-6-fluorophenyl)methyl N-ethylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.