Benzeneacetic acid, 2-(3-phenyl-5-isoxazolyl)-
TL;DR: Benzeneacetic acid, 2-(3-phenyl-5-isoxazolyl)- (CAS 104907-38-2) is a chemical compound with molecular formula C17H13NO3 and molecular weight 279.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(3-phenyl-1,2-oxazol-5-yl)phenyl]acetic acid
Also Known As: KST-1A0691, Benzeneacetic acid, 2-(3-phenyl-5-isoxazolyl)-, [2-(3-phenyl-1,2-oxazol-5-yl)phenyl]acetic acid, Benzeneacetic acid,2-(3-phenyl-5-isoxazolyl)-, 2-(2-(3-Phenylisoxazol-5-yl)phenyl)acetic acid
| Molecular Formula | C17H13NO3 |
|---|---|
| Molecular Weight | 279.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 279.08954 |
| Heavy Atoms | 21 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 104907-38-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NOC(=C2)C3=CC=CC=C3CC(=O)O |
| InChIKey | DJULHWFVIISITD-UHFFFAOYSA-N |
Product Overview
Benzeneacetic acid, 2-(3-phenyl-5-isoxazolyl)- (CAS 104907-38-2), with molecular formula C17H13NO3 and molecular weight 279.09 g/mol. IUPAC: 2-[2-(3-phenyl-1,2-oxazol-5-yl)phenyl]acetic acid.
Chemical Property Profile of Benzeneacetic acid, 2-(3-phenyl-5-isoxazolyl)-
Property Insights of Benzeneacetic acid, 2-(3-phenyl-5-isoxazolyl)-
The XLogP value of 3.2 indicates that Benzeneacetic acid, 2-(3-phenyl-5-isoxazolyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneacetic acid, 2-(3-phenyl-5-isoxazolyl)-. Following Lipinski's Rule of Five, Benzeneacetic acid, 2-(3-phenyl-5-isoxazolyl)- 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 Benzeneacetic acid, 2-(3-phenyl-5-isoxazolyl)-?
The CAS number of Benzeneacetic acid, 2-(3-phenyl-5-isoxazolyl)- is 104907-38-2.
What is the molecular formula of Benzeneacetic acid, 2-(3-phenyl-5-isoxazolyl)-?
The molecular formula of Benzeneacetic acid, 2-(3-phenyl-5-isoxazolyl)- is C17H13NO3.
What is the molecular weight of Benzeneacetic acid, 2-(3-phenyl-5-isoxazolyl)-?
The molecular weight of Benzeneacetic acid, 2-(3-phenyl-5-isoxazolyl)- is 279.09 g/mol.
Where can I buy Benzeneacetic acid, 2-(3-phenyl-5-isoxazolyl)-?
You can request a quote for Benzeneacetic acid, 2-(3-phenyl-5-isoxazolyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, 2-(3-phenyl-5-isoxazolyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, 2-(3-phenyl-5-isoxazolyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.