3-(4-Methoxyphenyl)-5-methyl-4-isoxazolecarbonyl chloride
TL;DR: 3-(4-Methoxyphenyl)-5-methyl-4-isoxazolecarbonyl chloride (CAS 465514-03-8) is a chemical compound with molecular formula C12H10ClNO3 and molecular weight 251.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride
Also Known As: 3-(4-methoxyphenyl)-5-methyl-4-isoxazolecarbonyl chloride, 6-Nitro-2,3-xylidine, 3-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride, 3-(4-methoxyphenyl)-5-methylisoxazole-4-carbonyl chloride, 3- -5-METHYL-4-ISOXAZOLECARBONYLCHLORIDE
| Molecular Formula | C12H10ClNO3 |
|---|---|
| Molecular Weight | 251.03 g/mol |
| LogP | 3.03762 |
| Topological Polar Surface Area | 52.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.03493 |
| Heavy Atoms | 17 |
| Complexity | 545.3784 |
Chemical Identifiers
| CAS Number | 465514-03-8 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=C(C=C2)OC)C(=O)Cl |
Product Overview
3-(4-Methoxyphenyl)-5-methyl-4-isoxazolecarbonyl chloride (CAS 465514-03-8), with molecular formula C12H10ClNO3 and molecular weight 251.03 g/mol. IUPAC: 3-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride.
Chemical Property Profile of 3-(4-Methoxyphenyl)-5-methyl-4-isoxazolecarbonyl chloride
Property Insights of 3-(4-Methoxyphenyl)-5-methyl-4-isoxazolecarbonyl chloride
The XLogP value of 3.03762 indicates that 3-(4-Methoxyphenyl)-5-methyl-4-isoxazolecarbonyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.33 Ų, 3-(4-Methoxyphenyl)-5-methyl-4-isoxazolecarbonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Methoxyphenyl)-5-methyl-4-isoxazolecarbonyl chloride 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 3-(4-Methoxyphenyl)-5-methyl-4-isoxazolecarbonyl chloride?
The CAS number of 3-(4-Methoxyphenyl)-5-methyl-4-isoxazolecarbonyl chloride is 465514-03-8.
What is the molecular formula of 3-(4-Methoxyphenyl)-5-methyl-4-isoxazolecarbonyl chloride?
The molecular formula of 3-(4-Methoxyphenyl)-5-methyl-4-isoxazolecarbonyl chloride is C12H10ClNO3.
What is the molecular weight of 3-(4-Methoxyphenyl)-5-methyl-4-isoxazolecarbonyl chloride?
The molecular weight of 3-(4-Methoxyphenyl)-5-methyl-4-isoxazolecarbonyl chloride is 251.03 g/mol.
Where can I buy 3-(4-Methoxyphenyl)-5-methyl-4-isoxazolecarbonyl chloride?
You can request a quote for 3-(4-Methoxyphenyl)-5-methyl-4-isoxazolecarbonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Methoxyphenyl)-5-methyl-4-isoxazolecarbonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methoxyphenyl)-5-methyl-4-isoxazolecarbonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.