2-Cinnamylsuccinic acid
TL;DR: 2-Cinnamylsuccinic acid (CAS 5671-91-0) is a chemical compound with molecular formula C13H14O4 and molecular weight 234.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-phenylprop-2-enyl)butanedioic acid
Also Known As: 2-Cinnamylsuccinic acid, 2-cinnamyl-butanedioic acid, 2-(3-phenylprop-2-enyl)butanedioic acid, 2-[(E)-3-phenylprop-2-enyl]butanedioic acid
| Molecular Formula | C13H14O4 |
|---|---|
| Molecular Weight | 234.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 234.0892 |
| Heavy Atoms | 17 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 5671-91-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=CCC(CC(=O)O)C(=O)O |
| InChIKey | USYIGOSTVXJXHA-UHFFFAOYSA-N |
Product Overview
2-Cinnamylsuccinic acid (CAS 5671-91-0), with molecular formula C13H14O4 and molecular weight 234.09 g/mol. IUPAC: 2-(3-phenylprop-2-enyl)butanedioic acid.
Chemical Property Profile of 2-Cinnamylsuccinic acid
Property Insights of 2-Cinnamylsuccinic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cinnamylsuccinic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cinnamylsuccinic acid. Following Lipinski's Rule of Five, 2-Cinnamylsuccinic 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-Cinnamylsuccinic acid?
The CAS number of 2-Cinnamylsuccinic acid is 5671-91-0.
What is the molecular formula of 2-Cinnamylsuccinic acid?
The molecular formula of 2-Cinnamylsuccinic acid is C13H14O4.
What is the molecular weight of 2-Cinnamylsuccinic acid?
The molecular weight of 2-Cinnamylsuccinic acid is 234.09 g/mol.
Where can I buy 2-Cinnamylsuccinic acid?
You can request a quote for 2-Cinnamylsuccinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cinnamylsuccinic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Cinnamylsuccinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.