3,4-Diacetoxycinnamic acid
TL;DR: 3,4-Diacetoxycinnamic acid (CAS 13788-48-2) is a chemical compound with molecular formula C13H12O6 and molecular weight 264.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-diacetyloxyphenyl)prop-2-enoic acid
Also Known As: 3,4-Diacetoxycinnamic acid, caffeic acid diacetate, OO'-Diacetylcaffeic acid, 3-(3,4-Diacetoxyphenyl)acrylic acid, 3-(3,4-diacetoxyphenyl)-2-propenoic acid
| Molecular Formula | C13H12O6 |
|---|---|
| Molecular Weight | 264.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 264.0634 |
| Heavy Atoms | 19 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 13788-48-2 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1)C=CC(=O)O)OC(=O)C |
| InChIKey | ZDIYGBWFISUTHI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Diacetoxycinnamic acid (CAS 13788-48-2), with molecular formula C13H12O6 and molecular weight 264.06 g/mol. IUPAC: 3-(3,4-diacetyloxyphenyl)prop-2-enoic acid.
Chemical Property Profile of 3,4-Diacetoxycinnamic acid
Property Insights of 3,4-Diacetoxycinnamic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Diacetoxycinnamic acid. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Diacetoxycinnamic acid. Following Lipinski's Rule of Five, 3,4-Diacetoxycinnamic acid has 1 hydrogen bond donor(s) and 6 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 3,4-Diacetoxycinnamic acid?
The CAS number of 3,4-Diacetoxycinnamic acid is 13788-48-2.
What is the molecular formula of 3,4-Diacetoxycinnamic acid?
The molecular formula of 3,4-Diacetoxycinnamic acid is C13H12O6.
What is the molecular weight of 3,4-Diacetoxycinnamic acid?
The molecular weight of 3,4-Diacetoxycinnamic acid is 264.06 g/mol.
Where can I buy 3,4-Diacetoxycinnamic acid?
You can request a quote for 3,4-Diacetoxycinnamic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Diacetoxycinnamic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Diacetoxycinnamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.