5-(chloromethyl)-3-isoxazolyl N-(3-chlorophenyl)carbamate
TL;DR: 5-(chloromethyl)-3-isoxazolyl N-(3-chlorophenyl)carbamate (CAS 866154-18-9) is a chemical compound with molecular formula C11H8Cl2N2O3 and molecular weight 285.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(chloromethyl)-1,2-oxazol-3-yl] N-(3-chlorophenyl)carbamate
Also Known As: 5-(chloromethyl)-3-isoxazolyl N-(3-chlorophenyl)carbamate, [5-(chloromethyl)-1,2-oxazol-3-yl] N-(3-chlorophenyl)carbamate, 5-(chloromethyl)-1,2-oxazol-3-yl N-(3-chlorophenyl)carbamate, 5-(chloromethyl)-1,2-oxazol-3-ylN-(3-chlorophenyl)carbamate
| Molecular Formula | C11H8Cl2N2O3 |
|---|---|
| Molecular Weight | 285.99 g/mol |
| LogP | 3.6777 |
| Topological Polar Surface Area | 64.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.9912 |
| Heavy Atoms | 18 |
| Complexity | 556.72626 |
Chemical Identifiers
| CAS Number | 866154-18-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)NC(=O)OC2=NOC(=C2)CCl |
Product Overview
5-(chloromethyl)-3-isoxazolyl N-(3-chlorophenyl)carbamate (CAS 866154-18-9), with molecular formula C11H8Cl2N2O3 and molecular weight 285.99 g/mol. IUPAC: [5-(chloromethyl)-1,2-oxazol-3-yl] N-(3-chlorophenyl)carbamate.
Chemical Property Profile of 5-(chloromethyl)-3-isoxazolyl N-(3-chlorophenyl)carbamate
Property Insights of 5-(chloromethyl)-3-isoxazolyl N-(3-chlorophenyl)carbamate
The XLogP value of 3.6777 indicates that 5-(chloromethyl)-3-isoxazolyl N-(3-chlorophenyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(chloromethyl)-3-isoxazolyl N-(3-chlorophenyl)carbamate. Following Lipinski's Rule of Five, 5-(chloromethyl)-3-isoxazolyl N-(3-chlorophenyl)carbamate 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 5-(chloromethyl)-3-isoxazolyl N-(3-chlorophenyl)carbamate?
The CAS number of 5-(chloromethyl)-3-isoxazolyl N-(3-chlorophenyl)carbamate is 866154-18-9.
What is the molecular formula of 5-(chloromethyl)-3-isoxazolyl N-(3-chlorophenyl)carbamate?
The molecular formula of 5-(chloromethyl)-3-isoxazolyl N-(3-chlorophenyl)carbamate is C11H8Cl2N2O3.
What is the molecular weight of 5-(chloromethyl)-3-isoxazolyl N-(3-chlorophenyl)carbamate?
The molecular weight of 5-(chloromethyl)-3-isoxazolyl N-(3-chlorophenyl)carbamate is 285.99 g/mol.
Where can I buy 5-(chloromethyl)-3-isoxazolyl N-(3-chlorophenyl)carbamate?
You can request a quote for 5-(chloromethyl)-3-isoxazolyl N-(3-chlorophenyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(chloromethyl)-3-isoxazolyl N-(3-chlorophenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for 5-(chloromethyl)-3-isoxazolyl N-(3-chlorophenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.