![4-[5-(2,2-Dicyanoethenyl)furan-2-yl]-3-methylbenzoic acid structure](/static/products/593/593273-63-3.png)
4-[5-(2,2-Dicyanoethenyl)furan-2-yl]-3-methylbenzoic acid
TL;DR: 4-[5-(2,2-Dicyanoethenyl)furan-2-yl]-3-methylbenzoic acid (CAS 593273-63-3) is a chemical compound with molecular formula C16H10N2O3 and molecular weight 278.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-(2,2-dicyanoethenyl)furan-2-yl]-3-methylbenzoic acid
Also Known As: 4-[5-(2,2-dicyanoethenyl)furan-2-yl]-3-methylbenzoic acid, AB01333562-02, 4-[5-(2,2-dicyanovinyl)(2-furyl)]-3-methylbenzoic acid, 4-[5-(2,2-dicyanoethenyl)-2-furyl]-3-methyl-benzoic Acid
| Molecular Formula | C16H10N2O3 |
|---|---|
| Molecular Weight | 278.07 g/mol |
| LogP | 3.38378 |
| Topological Polar Surface Area | 98.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.06915 |
| Heavy Atoms | 21 |
| Complexity | 800.77814 |
Chemical Identifiers
| CAS Number | 593273-63-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)O)C2=CC=C(O2)C=C(C#N)C#N |
Product Overview
4-[5-(2,2-Dicyanoethenyl)furan-2-yl]-3-methylbenzoic acid (CAS 593273-63-3), with molecular formula C16H10N2O3 and molecular weight 278.07 g/mol. IUPAC: 4-[5-(2,2-dicyanoethenyl)furan-2-yl]-3-methylbenzoic acid.
Chemical Property Profile of 4-[5-(2,2-Dicyanoethenyl)furan-2-yl]-3-methylbenzoic acid
Property Insights of 4-[5-(2,2-Dicyanoethenyl)furan-2-yl]-3-methylbenzoic acid
The XLogP value of 3.38378 indicates that 4-[5-(2,2-Dicyanoethenyl)furan-2-yl]-3-methylbenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[5-(2,2-Dicyanoethenyl)furan-2-yl]-3-methylbenzoic acid. Following Lipinski's Rule of Five, 4-[5-(2,2-Dicyanoethenyl)furan-2-yl]-3-methylbenzoic 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 4-[5-(2,2-Dicyanoethenyl)furan-2-yl]-3-methylbenzoic acid?
The CAS number of 4-[5-(2,2-Dicyanoethenyl)furan-2-yl]-3-methylbenzoic acid is 593273-63-3.
What is the molecular formula of 4-[5-(2,2-Dicyanoethenyl)furan-2-yl]-3-methylbenzoic acid?
The molecular formula of 4-[5-(2,2-Dicyanoethenyl)furan-2-yl]-3-methylbenzoic acid is C16H10N2O3.
What is the molecular weight of 4-[5-(2,2-Dicyanoethenyl)furan-2-yl]-3-methylbenzoic acid?
The molecular weight of 4-[5-(2,2-Dicyanoethenyl)furan-2-yl]-3-methylbenzoic acid is 278.07 g/mol.
Where can I buy 4-[5-(2,2-Dicyanoethenyl)furan-2-yl]-3-methylbenzoic acid?
You can request a quote for 4-[5-(2,2-Dicyanoethenyl)furan-2-yl]-3-methylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[5-(2,2-Dicyanoethenyl)furan-2-yl]-3-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[5-(2,2-Dicyanoethenyl)furan-2-yl]-3-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.