![4-[(2-Chlorophenoxy)methyl]-5-methylisoxazole-3-carboxylic acid structure](/static/products/905/905810-50-6.png)
4-[(2-Chlorophenoxy)methyl]-5-methylisoxazole-3-carboxylic acid
TL;DR: 4-[(2-Chlorophenoxy)methyl]-5-methylisoxazole-3-carboxylic acid (CAS 905810-50-6) is a chemical compound with molecular formula C12H10ClNO4 and molecular weight 267.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid
Also Known As: 4-[(2-chlorophenoxy)methyl]-5-methylisoxazole-3-carboxylic acid, 4-[(2-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid, 4-((2-Chlorophenoxy)methyl)-5-methylisoxazole-3-carboxylic acid, 4-(2-chlorophenoxymethyl)-5-methyl-1,2-oxazole-3-carboxylic acid, 4-((2-Chlorophenoxy)methyl)-5-methylisoxazole-3-carboxylicacid
| Molecular Formula | C12H10ClNO4 |
|---|---|
| Molecular Weight | 267.03 g/mol |
| LogP | 2.91362 |
| Topological Polar Surface Area | 72.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.02985 |
| Heavy Atoms | 18 |
| Complexity | 579.2064 |
Chemical Identifiers
| CAS Number | 905810-50-6 |
|---|---|
| SMILES | CC1=C(C(=NO1)C(=O)O)COC2=CC=CC=C2Cl |
Product Overview
4-[(2-Chlorophenoxy)methyl]-5-methylisoxazole-3-carboxylic acid (CAS 905810-50-6), with molecular formula C12H10ClNO4 and molecular weight 267.03 g/mol. IUPAC: 4-[(2-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid.
Chemical Property Profile of 4-[(2-Chlorophenoxy)methyl]-5-methylisoxazole-3-carboxylic acid
Property Insights of 4-[(2-Chlorophenoxy)methyl]-5-methylisoxazole-3-carboxylic acid
The XLogP value of 2.91362 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(2-Chlorophenoxy)methyl]-5-methylisoxazole-3-carboxylic acid. The TPSA of 72.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(2-Chlorophenoxy)methyl]-5-methylisoxazole-3-carboxylic acid. Following Lipinski's Rule of Five, 4-[(2-Chlorophenoxy)methyl]-5-methylisoxazole-3-carboxylic acid 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 4-[(2-Chlorophenoxy)methyl]-5-methylisoxazole-3-carboxylic acid?
The CAS number of 4-[(2-Chlorophenoxy)methyl]-5-methylisoxazole-3-carboxylic acid is 905810-50-6.
What is the molecular formula of 4-[(2-Chlorophenoxy)methyl]-5-methylisoxazole-3-carboxylic acid?
The molecular formula of 4-[(2-Chlorophenoxy)methyl]-5-methylisoxazole-3-carboxylic acid is C12H10ClNO4.
What is the molecular weight of 4-[(2-Chlorophenoxy)methyl]-5-methylisoxazole-3-carboxylic acid?
The molecular weight of 4-[(2-Chlorophenoxy)methyl]-5-methylisoxazole-3-carboxylic acid is 267.03 g/mol.
Where can I buy 4-[(2-Chlorophenoxy)methyl]-5-methylisoxazole-3-carboxylic acid?
You can request a quote for 4-[(2-Chlorophenoxy)methyl]-5-methylisoxazole-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(2-Chlorophenoxy)methyl]-5-methylisoxazole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2-Chlorophenoxy)methyl]-5-methylisoxazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.