![(2E)-3-(3-phenylbenzo[c]isoxazol-5-yl)prop-2-enoic acid structure](/static/products/2967/2967648-66-2.webp)
(2E)-3-(3-phenylbenzo[c]isoxazol-5-yl)prop-2-enoic acid
TL;DR: (2E)-3-(3-phenylbenzo[c]isoxazol-5-yl)prop-2-enoic acid (CAS 2967648-66-2) is a chemical compound with molecular formula C16H11NO3 and molecular weight 265.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-enoic acid
Also Known As: starbld0044691, TBK1/IKK, A-IN-3, IP6K2-IN-2, (2E)-3-(3-phenylbenzo[c]isoxazol-5-yl)prop-2-enoic acid
| Molecular Formula | C16H11NO3 |
|---|---|
| Molecular Weight | 265.07 g/mol |
| LogP | 3.5926 |
| Topological Polar Surface Area | 63.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 265.07388 |
| Heavy Atoms | 20 |
| Complexity | 787.84705 |
Chemical Identifiers
| CAS Number | 2967648-66-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)/C=C/C(=O)O |
Product Overview
(2E)-3-(3-phenylbenzo[c]isoxazol-5-yl)prop-2-enoic acid (CAS 2967648-66-2), with molecular formula C16H11NO3 and molecular weight 265.07 g/mol. IUPAC: (E)-3-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-enoic acid.
Chemical Property Profile of (2E)-3-(3-phenylbenzo[c]isoxazol-5-yl)prop-2-enoic acid
Property Insights of (2E)-3-(3-phenylbenzo[c]isoxazol-5-yl)prop-2-enoic acid
The XLogP value of 3.5926 indicates that (2E)-3-(3-phenylbenzo[c]isoxazol-5-yl)prop-2-enoic acid 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 (2E)-3-(3-phenylbenzo[c]isoxazol-5-yl)prop-2-enoic acid. Following Lipinski's Rule of Five, (2E)-3-(3-phenylbenzo[c]isoxazol-5-yl)prop-2-enoic acid 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 (2E)-3-(3-phenylbenzo[c]isoxazol-5-yl)prop-2-enoic acid?
The CAS number of (2E)-3-(3-phenylbenzo[c]isoxazol-5-yl)prop-2-enoic acid is 2967648-66-2.
What is the molecular formula of (2E)-3-(3-phenylbenzo[c]isoxazol-5-yl)prop-2-enoic acid?
The molecular formula of (2E)-3-(3-phenylbenzo[c]isoxazol-5-yl)prop-2-enoic acid is C16H11NO3.
What is the molecular weight of (2E)-3-(3-phenylbenzo[c]isoxazol-5-yl)prop-2-enoic acid?
The molecular weight of (2E)-3-(3-phenylbenzo[c]isoxazol-5-yl)prop-2-enoic acid is 265.07 g/mol.
Where can I buy (2E)-3-(3-phenylbenzo[c]isoxazol-5-yl)prop-2-enoic acid?
You can request a quote for (2E)-3-(3-phenylbenzo[c]isoxazol-5-yl)prop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-(3-phenylbenzo[c]isoxazol-5-yl)prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(3-phenylbenzo[c]isoxazol-5-yl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.