![2-([1,1'-Biphenyl]-4-ylmethylene)malonic acid structure](/static/products/6948/6948-80-7.webp)
2-([1,1'-Biphenyl]-4-ylmethylene)malonic acid
TL;DR: 2-([1,1'-Biphenyl]-4-ylmethylene)malonic acid (CAS 6948-80-7) is a chemical compound with molecular formula C16H12O4 and molecular weight 268.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-phenylphenyl)methylidene]propanedioic acid
Also Known As: NCIStruc1_000959, NCIStruc2_001107, KST-1A7622, Malonic acid, p-phenylbenzylidene-, (biphenyl-4-ylmethylidene)propanedioic acid
| Molecular Formula | C16H12O4 |
|---|---|
| Molecular Weight | 268.07 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 268.07355 |
| Heavy Atoms | 20 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 6948-80-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC=C(C=C2)C=C(C(=O)O)C(=O)O |
| InChIKey | VUKIGYZXHRSZFY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-([1,1'-Biphenyl]-4-ylmethylene)malonic acid (CAS 6948-80-7), with molecular formula C16H12O4 and molecular weight 268.07 g/mol. IUPAC: 2-[(4-phenylphenyl)methylidene]propanedioic acid.
Chemical Property Profile of 2-([1,1'-Biphenyl]-4-ylmethylene)malonic acid
Property Insights of 2-([1,1'-Biphenyl]-4-ylmethylene)malonic acid
The XLogP value of 4.3 indicates that 2-([1,1'-Biphenyl]-4-ylmethylene)malonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-([1,1'-Biphenyl]-4-ylmethylene)malonic acid. Following Lipinski's Rule of Five, 2-([1,1'-Biphenyl]-4-ylmethylene)malonic acid has 2 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 2-([1,1'-Biphenyl]-4-ylmethylene)malonic acid?
The CAS number of 2-([1,1'-Biphenyl]-4-ylmethylene)malonic acid is 6948-80-7.
What is the molecular formula of 2-([1,1'-Biphenyl]-4-ylmethylene)malonic acid?
The molecular formula of 2-([1,1'-Biphenyl]-4-ylmethylene)malonic acid is C16H12O4.
What is the molecular weight of 2-([1,1'-Biphenyl]-4-ylmethylene)malonic acid?
The molecular weight of 2-([1,1'-Biphenyl]-4-ylmethylene)malonic acid is 268.07 g/mol.
Where can I buy 2-([1,1'-Biphenyl]-4-ylmethylene)malonic acid?
You can request a quote for 2-([1,1'-Biphenyl]-4-ylmethylene)malonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-([1,1'-Biphenyl]-4-ylmethylene)malonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-([1,1'-Biphenyl]-4-ylmethylene)malonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.