![3-[3-(4-Methylphenyl)-2,1-benzoxazol-5-yl]prop-2-enoic acid structure](/static/products/3442/344276-77-3.webp)
3-[3-(4-Methylphenyl)-2,1-benzoxazol-5-yl]prop-2-enoic acid
TL;DR: 3-[3-(4-Methylphenyl)-2,1-benzoxazol-5-yl]prop-2-enoic acid (CAS 344276-77-3) 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.
3-[3-(4-methylphenyl)-2,1-benzoxazol-5-yl]prop-2-enoic acid
Also Known As: 3-[3-(4-methylphenyl)-2,1-benzoxazol-5-yl]prop-2-enoic acid, 3-(3-p-Tolyl-benzo[c]isoxazol-5-yl)-acrylic acid, 3-[3-(4-METHYLPHENYL)-2,1-BENZISOXAZOL-5-YL]-ACRYLIC ACID, 3-[3-(4-methylphenyl)-2,1-benzisoxazol-5-yl]acrylic acid, 3-[3-(4-Methylphenyl)-2,1-benzisoxazol-5-yl] acrylic acid
| Molecular Formula | C17H13NO3 |
|---|---|
| Molecular Weight | 279.09 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.08954 |
| Heavy Atoms | 21 |
| Complexity | 401.0 |
Chemical Identifiers
| CAS Number | 344276-77-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C=CC(=O)O |
| InChIKey | YPDPEHKRYOMXIP-UHFFFAOYSA-N |
Product Overview
3-[3-(4-Methylphenyl)-2,1-benzoxazol-5-yl]prop-2-enoic acid (CAS 344276-77-3), with molecular formula C17H13NO3 and molecular weight 279.09 g/mol. IUPAC: 3-[3-(4-methylphenyl)-2,1-benzoxazol-5-yl]prop-2-enoic acid.
Chemical Property Profile of 3-[3-(4-Methylphenyl)-2,1-benzoxazol-5-yl]prop-2-enoic acid
Property Insights of 3-[3-(4-Methylphenyl)-2,1-benzoxazol-5-yl]prop-2-enoic acid
The XLogP value of 3.7 indicates that 3-[3-(4-Methylphenyl)-2,1-benzoxazol-5-yl]prop-2-enoic acid 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 3-[3-(4-Methylphenyl)-2,1-benzoxazol-5-yl]prop-2-enoic acid. Following Lipinski's Rule of Five, 3-[3-(4-Methylphenyl)-2,1-benzoxazol-5-yl]prop-2-enoic acid 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 3-[3-(4-Methylphenyl)-2,1-benzoxazol-5-yl]prop-2-enoic acid?
The CAS number of 3-[3-(4-Methylphenyl)-2,1-benzoxazol-5-yl]prop-2-enoic acid is 344276-77-3.
What is the molecular formula of 3-[3-(4-Methylphenyl)-2,1-benzoxazol-5-yl]prop-2-enoic acid?
The molecular formula of 3-[3-(4-Methylphenyl)-2,1-benzoxazol-5-yl]prop-2-enoic acid is C17H13NO3.
What is the molecular weight of 3-[3-(4-Methylphenyl)-2,1-benzoxazol-5-yl]prop-2-enoic acid?
The molecular weight of 3-[3-(4-Methylphenyl)-2,1-benzoxazol-5-yl]prop-2-enoic acid is 279.09 g/mol.
Where can I buy 3-[3-(4-Methylphenyl)-2,1-benzoxazol-5-yl]prop-2-enoic acid?
You can request a quote for 3-[3-(4-Methylphenyl)-2,1-benzoxazol-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 3-[3-(4-Methylphenyl)-2,1-benzoxazol-5-yl]prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[3-(4-Methylphenyl)-2,1-benzoxazol-5-yl]prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.