Cinnamylidenemalonic acid
TL;DR: Cinnamylidenemalonic acid (CAS 481-82-3) is a chemical compound with molecular formula C12H10O4 and molecular weight 218.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-3-phenylprop-2-enylidene]propanedioic acid
Also Known As: Cinnamylidenemalonic acid, Cinnamalmalonic acid, Cinnamalmalonsaure, Cinnamylidenmalonsaure, Malonic acid, cinnamylidene-
| Molecular Formula | C12H10O4 |
|---|---|
| Molecular Weight | 218.06 g/mol |
| LogP | 1.7954 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 218.0579 |
| Heavy Atoms | 16 |
| Complexity | 427.34637 |
Chemical Identifiers
| CAS Number | 481-82-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/C=C(C(=O)O)C(=O)O |
Product Overview
Cinnamylidenemalonic acid (CAS 481-82-3), with molecular formula C12H10O4 and molecular weight 218.06 g/mol. IUPAC: 2-[(E)-3-phenylprop-2-enylidene]propanedioic acid.
Chemical Property Profile of Cinnamylidenemalonic acid
Property Insights of Cinnamylidenemalonic acid
The XLogP value of 1.7954 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cinnamylidenemalonic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Cinnamylidenemalonic acid. Following Lipinski's Rule of Five, Cinnamylidenemalonic acid has 2 hydrogen bond donor(s) and 2 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 Cinnamylidenemalonic acid?
The CAS number of Cinnamylidenemalonic acid is 481-82-3.
What is the molecular formula of Cinnamylidenemalonic acid?
The molecular formula of Cinnamylidenemalonic acid is C12H10O4.
What is the molecular weight of Cinnamylidenemalonic acid?
The molecular weight of Cinnamylidenemalonic acid is 218.06 g/mol.
Where can I buy Cinnamylidenemalonic acid?
You can request a quote for Cinnamylidenemalonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cinnamylidenemalonic acid?
Yes, KEHONG BIO provides custom synthesis services for Cinnamylidenemalonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.