![3-[5-(2,5-Dimethylphenyl)-1,3,4-oxadiazol-2-yl]acrylic acid structure](/static/products/233/233604-29-0.png)
3-[5-(2,5-Dimethylphenyl)-1,3,4-oxadiazol-2-yl]acrylic acid
TL;DR: 3-[5-(2,5-Dimethylphenyl)-1,3,4-oxadiazol-2-yl]acrylic acid (CAS 233604-29-0) is a chemical compound with molecular formula C13H12N2O3 and molecular weight 244.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enoic acid
Also Known As: AO-289/15480057, 3-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acrylic acid, (E)-3-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enoic acid
| Molecular Formula | C13H12N2O3 |
|---|---|
| Molecular Weight | 244.08 g/mol |
| LogP | 2.45124 |
| Topological Polar Surface Area | 76.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.0848 |
| Heavy Atoms | 18 |
| Complexity | 614.449 |
Chemical Identifiers
| CAS Number | 233604-29-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)C2=NN=C(O2)/C=C/C(=O)O |
Product Overview
3-[5-(2,5-Dimethylphenyl)-1,3,4-oxadiazol-2-yl]acrylic acid (CAS 233604-29-0), with molecular formula C13H12N2O3 and molecular weight 244.08 g/mol. IUPAC: (E)-3-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enoic acid.
Chemical Property Profile of 3-[5-(2,5-Dimethylphenyl)-1,3,4-oxadiazol-2-yl]acrylic acid
Property Insights of 3-[5-(2,5-Dimethylphenyl)-1,3,4-oxadiazol-2-yl]acrylic acid
The XLogP value of 2.45124 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[5-(2,5-Dimethylphenyl)-1,3,4-oxadiazol-2-yl]acrylic acid. The TPSA of 76.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[5-(2,5-Dimethylphenyl)-1,3,4-oxadiazol-2-yl]acrylic acid. Following Lipinski's Rule of Five, 3-[5-(2,5-Dimethylphenyl)-1,3,4-oxadiazol-2-yl]acrylic 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-[5-(2,5-Dimethylphenyl)-1,3,4-oxadiazol-2-yl]acrylic acid?
The CAS number of 3-[5-(2,5-Dimethylphenyl)-1,3,4-oxadiazol-2-yl]acrylic acid is 233604-29-0.
What is the molecular formula of 3-[5-(2,5-Dimethylphenyl)-1,3,4-oxadiazol-2-yl]acrylic acid?
The molecular formula of 3-[5-(2,5-Dimethylphenyl)-1,3,4-oxadiazol-2-yl]acrylic acid is C13H12N2O3.
What is the molecular weight of 3-[5-(2,5-Dimethylphenyl)-1,3,4-oxadiazol-2-yl]acrylic acid?
The molecular weight of 3-[5-(2,5-Dimethylphenyl)-1,3,4-oxadiazol-2-yl]acrylic acid is 244.08 g/mol.
Where can I buy 3-[5-(2,5-Dimethylphenyl)-1,3,4-oxadiazol-2-yl]acrylic acid?
You can request a quote for 3-[5-(2,5-Dimethylphenyl)-1,3,4-oxadiazol-2-yl]acrylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[5-(2,5-Dimethylphenyl)-1,3,4-oxadiazol-2-yl]acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[5-(2,5-Dimethylphenyl)-1,3,4-oxadiazol-2-yl]acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.