2-Benzylidene-3-methylbutanedioic acid
TL;DR: 2-Benzylidene-3-methylbutanedioic acid (CAS 1467-37-4) is a chemical compound with molecular formula C12H12O4 and molecular weight 220.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylidene-3-methylbutanedioic acid
Also Known As: 2-benzylidene-3-methylbutanedioic acid, (2E)-2-benzylidene-3-methylbutanedioic acid
| Molecular Formula | C12H12O4 |
|---|---|
| Molecular Weight | 220.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 220.07356 |
| Heavy Atoms | 16 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 1467-37-4 |
|---|---|
| SMILES | CC(C(=CC1=CC=CC=C1)C(=O)O)C(=O)O |
| InChIKey | JWJQNWSYPNFNCX-UHFFFAOYSA-N |
Product Overview
2-Benzylidene-3-methylbutanedioic acid (CAS 1467-37-4), with molecular formula C12H12O4 and molecular weight 220.07 g/mol. IUPAC: 2-benzylidene-3-methylbutanedioic acid.
Chemical Property Profile of 2-Benzylidene-3-methylbutanedioic acid
Property Insights of 2-Benzylidene-3-methylbutanedioic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzylidene-3-methylbutanedioic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzylidene-3-methylbutanedioic acid. Following Lipinski's Rule of Five, 2-Benzylidene-3-methylbutanedioic 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-Benzylidene-3-methylbutanedioic acid?
The CAS number of 2-Benzylidene-3-methylbutanedioic acid is 1467-37-4.
What is the molecular formula of 2-Benzylidene-3-methylbutanedioic acid?
The molecular formula of 2-Benzylidene-3-methylbutanedioic acid is C12H12O4.
What is the molecular weight of 2-Benzylidene-3-methylbutanedioic acid?
The molecular weight of 2-Benzylidene-3-methylbutanedioic acid is 220.07 g/mol.
Where can I buy 2-Benzylidene-3-methylbutanedioic acid?
You can request a quote for 2-Benzylidene-3-methylbutanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzylidene-3-methylbutanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzylidene-3-methylbutanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.