Benzeneacetic acid, 4-(5-(4-methoxyphenyl)-3-isoxazolyl)-, methyl ester
TL;DR: Benzeneacetic acid, 4-(5-(4-methoxyphenyl)-3-isoxazolyl)-, methyl ester (CAS 78868-50-5) is a chemical compound with molecular formula C19H17NO4 and molecular weight 323.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]phenyl]acetate
Also Known As: Benzeneacetic acid, 4-(5-(4-methoxyphenyl)-3-isoxazolyl)-, methyl ester, Methyl 4-(5-(4-methoxyphenyl)-3-isoxazolyl)benzeneacetate, methyl 2-[4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]phenyl]acetate, Methyl {4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]phenyl}acetate, BRN 4530206
| Molecular Formula | C19H17NO4 |
|---|---|
| Molecular Weight | 323.12 g/mol |
| LogP | 3.7327 |
| Topological Polar Surface Area | 61.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.11575 |
| Heavy Atoms | 24 |
| Complexity | 819.33295 |
Chemical Identifiers
| CAS Number | 78868-50-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=CC(=NO2)C3=CC=C(C=C3)CC(=O)OC |
Product Overview
Benzeneacetic acid, 4-(5-(4-methoxyphenyl)-3-isoxazolyl)-, methyl ester (CAS 78868-50-5), with molecular formula C19H17NO4 and molecular weight 323.12 g/mol. IUPAC: methyl 2-[4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]phenyl]acetate.
Chemical Property Profile of Benzeneacetic acid, 4-(5-(4-methoxyphenyl)-3-isoxazolyl)-, methyl ester
Property Insights of Benzeneacetic acid, 4-(5-(4-methoxyphenyl)-3-isoxazolyl)-, methyl ester
The XLogP value of 3.7327 indicates that Benzeneacetic acid, 4-(5-(4-methoxyphenyl)-3-isoxazolyl)-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.56 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneacetic acid, 4-(5-(4-methoxyphenyl)-3-isoxazolyl)-, methyl ester. Following Lipinski's Rule of Five, Benzeneacetic acid, 4-(5-(4-methoxyphenyl)-3-isoxazolyl)-, methyl ester 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 Benzeneacetic acid, 4-(5-(4-methoxyphenyl)-3-isoxazolyl)-, methyl ester?
The CAS number of Benzeneacetic acid, 4-(5-(4-methoxyphenyl)-3-isoxazolyl)-, methyl ester is 78868-50-5.
What is the molecular formula of Benzeneacetic acid, 4-(5-(4-methoxyphenyl)-3-isoxazolyl)-, methyl ester?
The molecular formula of Benzeneacetic acid, 4-(5-(4-methoxyphenyl)-3-isoxazolyl)-, methyl ester is C19H17NO4.
What is the molecular weight of Benzeneacetic acid, 4-(5-(4-methoxyphenyl)-3-isoxazolyl)-, methyl ester?
The molecular weight of Benzeneacetic acid, 4-(5-(4-methoxyphenyl)-3-isoxazolyl)-, methyl ester is 323.12 g/mol.
Where can I buy Benzeneacetic acid, 4-(5-(4-methoxyphenyl)-3-isoxazolyl)-, methyl ester?
You can request a quote for Benzeneacetic acid, 4-(5-(4-methoxyphenyl)-3-isoxazolyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, 4-(5-(4-methoxyphenyl)-3-isoxazolyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, 4-(5-(4-methoxyphenyl)-3-isoxazolyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.