caffeic acid, (Z)-
TL;DR: caffeic acid, (Z)- (CAS 4361-87-9) is a chemical compound with molecular formula C9H8O4 and molecular weight 180.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
Also Known As: cis-Caffeic acid, caffeic acid, Caffeate, Isocaffeic acid, trans-Caffeate
| Molecular Formula | C9H8O4 |
|---|---|
| Molecular Weight | 180.04 g/mol |
| LogP | 1.1956 |
| Topological Polar Surface Area | 77.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.04225 |
| Heavy Atoms | 13 |
| Complexity | 354.6324 |
Chemical Identifiers
| CAS Number | 4361-87-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1/C=C\C(=O)O)O)O |
Product Overview
caffeic acid, (Z)- (CAS 4361-87-9), with molecular formula C9H8O4 and molecular weight 180.04 g/mol. IUPAC: (Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid.
Chemical Property Profile of caffeic acid, (Z)-
Property Insights of caffeic acid, (Z)-
The XLogP value of 1.1956 suggests moderate lipophilicity, balancing water solubility and membrane permeability for caffeic acid, (Z)-. The TPSA of 77.76 Ų falls within the moderate polarity range, balancing permeability and solubility for caffeic acid, (Z)-. Following Lipinski's Rule of Five, caffeic acid, (Z)- has 3 hydrogen bond donor(s) and 3 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 caffeic acid, (Z)-?
The CAS number of caffeic acid, (Z)- is 4361-87-9.
What is the molecular formula of caffeic acid, (Z)-?
The molecular formula of caffeic acid, (Z)- is C9H8O4.
What is the molecular weight of caffeic acid, (Z)-?
The molecular weight of caffeic acid, (Z)- is 180.04 g/mol.
Where can I buy caffeic acid, (Z)-?
You can request a quote for caffeic acid, (Z)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for caffeic acid, (Z)-?
Yes, KEHONG BIO provides custom synthesis services for caffeic acid, (Z)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.