Methyl 3-(3-(2-chlorophenyl)-5-methylisoxazol-4-yl)-3-oxopropanoate
TL;DR: Methyl 3-(3-(2-chlorophenyl)-5-methylisoxazol-4-yl)-3-oxopropanoate (CAS 676348-52-0) is a chemical compound with molecular formula C14H12ClNO4 and molecular weight 293.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-oxopropanoate
Also Known As: Methyl 3-(3-(2-chlorophenyl)-5-methylisoxazol-4-yl)-3-oxopropanoate, 3-[3-(2-Chloro-phenyl)-5-methyl-isoxazol-4-yl]-3-oxo-propionic acid methyl ester, methyl 3-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-oxopropanoate, 3-[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]-3-oxopropionic acid methyl ester, Methyl3-(3-(2-chlorophenyl)-5-methylisoxazol-4-yl)-3-oxopropanoate
| Molecular Formula | C14H12ClNO4 |
|---|---|
| Molecular Weight | 293.05 g/mol |
| LogP | 3.04922 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 293.04547 |
| Heavy Atoms | 20 |
| Complexity | 662.94354 |
Chemical Identifiers
| CAS Number | 676348-52-0 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)CC(=O)OC |
Product Overview
Methyl 3-(3-(2-chlorophenyl)-5-methylisoxazol-4-yl)-3-oxopropanoate (CAS 676348-52-0), with molecular formula C14H12ClNO4 and molecular weight 293.05 g/mol. IUPAC: methyl 3-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-oxopropanoate.
Chemical Property Profile of Methyl 3-(3-(2-chlorophenyl)-5-methylisoxazol-4-yl)-3-oxopropanoate
Property Insights of Methyl 3-(3-(2-chlorophenyl)-5-methylisoxazol-4-yl)-3-oxopropanoate
The XLogP value of 3.04922 indicates that Methyl 3-(3-(2-chlorophenyl)-5-methylisoxazol-4-yl)-3-oxopropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(3-(2-chlorophenyl)-5-methylisoxazol-4-yl)-3-oxopropanoate. Following Lipinski's Rule of Five, Methyl 3-(3-(2-chlorophenyl)-5-methylisoxazol-4-yl)-3-oxopropanoate has 0 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 Methyl 3-(3-(2-chlorophenyl)-5-methylisoxazol-4-yl)-3-oxopropanoate?
The CAS number of Methyl 3-(3-(2-chlorophenyl)-5-methylisoxazol-4-yl)-3-oxopropanoate is 676348-52-0.
What is the molecular formula of Methyl 3-(3-(2-chlorophenyl)-5-methylisoxazol-4-yl)-3-oxopropanoate?
The molecular formula of Methyl 3-(3-(2-chlorophenyl)-5-methylisoxazol-4-yl)-3-oxopropanoate is C14H12ClNO4.
What is the molecular weight of Methyl 3-(3-(2-chlorophenyl)-5-methylisoxazol-4-yl)-3-oxopropanoate?
The molecular weight of Methyl 3-(3-(2-chlorophenyl)-5-methylisoxazol-4-yl)-3-oxopropanoate is 293.05 g/mol.
Where can I buy Methyl 3-(3-(2-chlorophenyl)-5-methylisoxazol-4-yl)-3-oxopropanoate?
You can request a quote for Methyl 3-(3-(2-chlorophenyl)-5-methylisoxazol-4-yl)-3-oxopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(3-(2-chlorophenyl)-5-methylisoxazol-4-yl)-3-oxopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(3-(2-chlorophenyl)-5-methylisoxazol-4-yl)-3-oxopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.