![3-[5-(4-cyanophenyl)-1,2,4-oxadiazol-3-yl]benzoic Acid structure](/static/products/1994/199447-11-5.webp)
3-[5-(4-cyanophenyl)-1,2,4-oxadiazol-3-yl]benzoic Acid
TL;DR: 3-[5-(4-cyanophenyl)-1,2,4-oxadiazol-3-yl]benzoic Acid (CAS 199447-11-5) is a chemical compound with molecular formula C16H9N3O3 and molecular weight 291.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-(4-cyanophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
Also Known As: 3-[5-(4-cyanophenyl)-1,2,4-oxadiazol-3-yl]benzoic Acid, Benzoic acid, 3-[5-(4-cyanophenyl)-1,2,4-oxadiazol-3-yl]-
| Molecular Formula | C16H9N3O3 |
|---|---|
| Molecular Weight | 291.06 g/mol |
| LogP | 2.97348 |
| Topological Polar Surface Area | 100.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.0644 |
| Heavy Atoms | 22 |
| Complexity | 876.15173 |
Chemical Identifiers
| CAS Number | 199447-11-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(=O)O)C2=NOC(=N2)C3=CC=C(C=C3)C#N |
Product Overview
3-[5-(4-cyanophenyl)-1,2,4-oxadiazol-3-yl]benzoic Acid (CAS 199447-11-5), with molecular formula C16H9N3O3 and molecular weight 291.06 g/mol. IUPAC: 3-[5-(4-cyanophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid.
Chemical Property Profile of 3-[5-(4-cyanophenyl)-1,2,4-oxadiazol-3-yl]benzoic Acid
Property Insights of 3-[5-(4-cyanophenyl)-1,2,4-oxadiazol-3-yl]benzoic Acid
The XLogP value of 2.97348 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[5-(4-cyanophenyl)-1,2,4-oxadiazol-3-yl]benzoic Acid. The TPSA of 100.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[5-(4-cyanophenyl)-1,2,4-oxadiazol-3-yl]benzoic Acid. Following Lipinski's Rule of Five, 3-[5-(4-cyanophenyl)-1,2,4-oxadiazol-3-yl]benzoic Acid has 1 hydrogen bond donor(s) and 5 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-(4-cyanophenyl)-1,2,4-oxadiazol-3-yl]benzoic Acid?
The CAS number of 3-[5-(4-cyanophenyl)-1,2,4-oxadiazol-3-yl]benzoic Acid is 199447-11-5.
What is the molecular formula of 3-[5-(4-cyanophenyl)-1,2,4-oxadiazol-3-yl]benzoic Acid?
The molecular formula of 3-[5-(4-cyanophenyl)-1,2,4-oxadiazol-3-yl]benzoic Acid is C16H9N3O3.
What is the molecular weight of 3-[5-(4-cyanophenyl)-1,2,4-oxadiazol-3-yl]benzoic Acid?
The molecular weight of 3-[5-(4-cyanophenyl)-1,2,4-oxadiazol-3-yl]benzoic Acid is 291.06 g/mol.
Where can I buy 3-[5-(4-cyanophenyl)-1,2,4-oxadiazol-3-yl]benzoic Acid?
You can request a quote for 3-[5-(4-cyanophenyl)-1,2,4-oxadiazol-3-yl]benzoic 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-(4-cyanophenyl)-1,2,4-oxadiazol-3-yl]benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[5-(4-cyanophenyl)-1,2,4-oxadiazol-3-yl]benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.