3-(4-Hydroxyphenyl)-4,5-dihydro-5-isoxazoleacetic acid methyl ester
TL;DR: 3-(4-Hydroxyphenyl)-4,5-dihydro-5-isoxazoleacetic acid methyl ester (CAS 478336-92-4) is a chemical compound with molecular formula C12H13NO4 and molecular weight 235.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetate
Also Known As: MIF Antagonist, ISO-1, MIF Antagonist, ISO-1 cpd, methyl 2-(3-(4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)acetate, ISO-1, MIF Antagonist
| Molecular Formula | C12H13NO4 |
|---|---|
| Molecular Weight | 235.08 g/mol |
| LogP | 1.4483 |
| Topological Polar Surface Area | 68.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.08446 |
| Heavy Atoms | 17 |
| Complexity | 438.3238 |
Chemical Identifiers
| CAS Number | 478336-92-4 |
|---|---|
| SMILES | COC(=O)CC1CC(=NO1)C2=CC=C(C=C2)O |
Product Overview
3-(4-Hydroxyphenyl)-4,5-dihydro-5-isoxazoleacetic acid methyl ester (CAS 478336-92-4), with molecular formula C12H13NO4 and molecular weight 235.08 g/mol. IUPAC: methyl 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetate.
Chemical Property Profile of 3-(4-Hydroxyphenyl)-4,5-dihydro-5-isoxazoleacetic acid methyl ester
Property Insights of 3-(4-Hydroxyphenyl)-4,5-dihydro-5-isoxazoleacetic acid methyl ester
The XLogP value of 1.4483 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Hydroxyphenyl)-4,5-dihydro-5-isoxazoleacetic acid methyl ester. The TPSA of 68.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Hydroxyphenyl)-4,5-dihydro-5-isoxazoleacetic acid methyl ester. Following Lipinski's Rule of Five, 3-(4-Hydroxyphenyl)-4,5-dihydro-5-isoxazoleacetic acid methyl ester has 1 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 3-(4-Hydroxyphenyl)-4,5-dihydro-5-isoxazoleacetic acid methyl ester?
The CAS number of 3-(4-Hydroxyphenyl)-4,5-dihydro-5-isoxazoleacetic acid methyl ester is 478336-92-4.
What is the molecular formula of 3-(4-Hydroxyphenyl)-4,5-dihydro-5-isoxazoleacetic acid methyl ester?
The molecular formula of 3-(4-Hydroxyphenyl)-4,5-dihydro-5-isoxazoleacetic acid methyl ester is C12H13NO4.
What is the molecular weight of 3-(4-Hydroxyphenyl)-4,5-dihydro-5-isoxazoleacetic acid methyl ester?
The molecular weight of 3-(4-Hydroxyphenyl)-4,5-dihydro-5-isoxazoleacetic acid methyl ester is 235.08 g/mol.
Where can I buy 3-(4-Hydroxyphenyl)-4,5-dihydro-5-isoxazoleacetic acid methyl ester?
You can request a quote for 3-(4-Hydroxyphenyl)-4,5-dihydro-5-isoxazoleacetic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Hydroxyphenyl)-4,5-dihydro-5-isoxazoleacetic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Hydroxyphenyl)-4,5-dihydro-5-isoxazoleacetic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.