5-Isoxazolecarboxylic acid, 3-(2,6-dichlorophenyl)-, methyl ester
TL;DR: 5-Isoxazolecarboxylic acid, 3-(2,6-dichlorophenyl)-, methyl ester (CAS 359688-70-3) is a chemical compound with molecular formula C11H7Cl2NO3 and molecular weight 270.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(2,6-dichlorophenyl)-1,2-oxazole-5-carboxylate
Also Known As: Methyl 3-(2,6-dichlorophenyl)-1,2-oxazole-5-carboxylate, J1.541.077I, 5-Isoxazolecarboxylic acid, 3-(2,6-dichlorophenyl)-, methyl ester, Methyl 3-(2,6-dichlorophenyl)isoxazole-5-carboxylate, 5-Isoxazolecarboxylic acid,3-(2,6-dichlorophenyl)-,methyl ester
| Molecular Formula | C11H7Cl2NO3 |
|---|---|
| Molecular Weight | 270.98 g/mol |
| LogP | 3.435 |
| Topological Polar Surface Area | 52.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.9803 |
| Heavy Atoms | 17 |
| Complexity | 545.34424 |
Chemical Identifiers
| CAS Number | 359688-70-3 |
|---|---|
| SMILES | COC(=O)C1=CC(=NO1)C2=C(C=CC=C2Cl)Cl |
Product Overview
5-Isoxazolecarboxylic acid, 3-(2,6-dichlorophenyl)-, methyl ester (CAS 359688-70-3), with molecular formula C11H7Cl2NO3 and molecular weight 270.98 g/mol. IUPAC: methyl 3-(2,6-dichlorophenyl)-1,2-oxazole-5-carboxylate.
Chemical Property Profile of 5-Isoxazolecarboxylic acid, 3-(2,6-dichlorophenyl)-, methyl ester
Property Insights of 5-Isoxazolecarboxylic acid, 3-(2,6-dichlorophenyl)-, methyl ester
The XLogP value of 3.435 indicates that 5-Isoxazolecarboxylic acid, 3-(2,6-dichlorophenyl)-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.33 Ų, 5-Isoxazolecarboxylic acid, 3-(2,6-dichlorophenyl)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Isoxazolecarboxylic acid, 3-(2,6-dichlorophenyl)-, methyl ester has 0 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-Isoxazolecarboxylic acid, 3-(2,6-dichlorophenyl)-, methyl ester?
The CAS number of 5-Isoxazolecarboxylic acid, 3-(2,6-dichlorophenyl)-, methyl ester is 359688-70-3.
What is the molecular formula of 5-Isoxazolecarboxylic acid, 3-(2,6-dichlorophenyl)-, methyl ester?
The molecular formula of 5-Isoxazolecarboxylic acid, 3-(2,6-dichlorophenyl)-, methyl ester is C11H7Cl2NO3.
What is the molecular weight of 5-Isoxazolecarboxylic acid, 3-(2,6-dichlorophenyl)-, methyl ester?
The molecular weight of 5-Isoxazolecarboxylic acid, 3-(2,6-dichlorophenyl)-, methyl ester is 270.98 g/mol.
Where can I buy 5-Isoxazolecarboxylic acid, 3-(2,6-dichlorophenyl)-, methyl ester?
You can request a quote for 5-Isoxazolecarboxylic acid, 3-(2,6-dichlorophenyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Isoxazolecarboxylic acid, 3-(2,6-dichlorophenyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-Isoxazolecarboxylic acid, 3-(2,6-dichlorophenyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.