1,2-Benzisoxazole-7-acetic acid, alpha-methyl-3-phenyl-
TL;DR: 1,2-Benzisoxazole-7-acetic acid, alpha-methyl-3-phenyl- (CAS 71825-18-8) is a chemical compound with molecular formula C16H13NO3 and molecular weight 267.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-phenyl-1,2-benzoxazol-7-yl)propanoic acid
Also Known As: 2-(3-phenyl-1,2-benzoxazol-7-yl)propanoic acid, alpha-Methyl-3-phenyl-1,2-benzisoxazole-7-acetic acid, 1,2-Benzisoxazole-7-acetic acid, alpha-methyl-3-phenyl-, RefChem:1052167, BRN 1002105
| Molecular Formula | C16H13NO3 |
|---|---|
| Molecular Weight | 267.09 g/mol |
| LogP | 3.6829 |
| Topological Polar Surface Area | 63.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.08954 |
| Heavy Atoms | 20 |
| Complexity | 761.74786 |
Chemical Identifiers
| CAS Number | 71825-18-8 |
|---|---|
| SMILES | CC(C1=CC=CC2=C1ON=C2C3=CC=CC=C3)C(=O)O |
Product Overview
1,2-Benzisoxazole-7-acetic acid, alpha-methyl-3-phenyl- (CAS 71825-18-8), with molecular formula C16H13NO3 and molecular weight 267.09 g/mol. IUPAC: 2-(3-phenyl-1,2-benzoxazol-7-yl)propanoic acid.
Chemical Property Profile of 1,2-Benzisoxazole-7-acetic acid, alpha-methyl-3-phenyl-
Property Insights of 1,2-Benzisoxazole-7-acetic acid, alpha-methyl-3-phenyl-
The XLogP value of 3.6829 indicates that 1,2-Benzisoxazole-7-acetic acid, alpha-methyl-3-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Benzisoxazole-7-acetic acid, alpha-methyl-3-phenyl-. Following Lipinski's Rule of Five, 1,2-Benzisoxazole-7-acetic acid, alpha-methyl-3-phenyl- has 1 hydrogen bond donor(s) and 3 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 1,2-Benzisoxazole-7-acetic acid, alpha-methyl-3-phenyl-?
The CAS number of 1,2-Benzisoxazole-7-acetic acid, alpha-methyl-3-phenyl- is 71825-18-8.
What is the molecular formula of 1,2-Benzisoxazole-7-acetic acid, alpha-methyl-3-phenyl-?
The molecular formula of 1,2-Benzisoxazole-7-acetic acid, alpha-methyl-3-phenyl- is C16H13NO3.
What is the molecular weight of 1,2-Benzisoxazole-7-acetic acid, alpha-methyl-3-phenyl-?
The molecular weight of 1,2-Benzisoxazole-7-acetic acid, alpha-methyl-3-phenyl- is 267.09 g/mol.
Where can I buy 1,2-Benzisoxazole-7-acetic acid, alpha-methyl-3-phenyl-?
You can request a quote for 1,2-Benzisoxazole-7-acetic acid, alpha-methyl-3-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzisoxazole-7-acetic acid, alpha-methyl-3-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzisoxazole-7-acetic acid, alpha-methyl-3-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.