迷迭香酸
TL;DR: 迷迭香酸 (CAS 20283-92-5) is a chemical compound with molecular formula C18H16O8 and molecular weight 360.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
迷迭香酸
3-(3,4-dihydroxyphenyl)-2-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]propanoic acid
Also Known As: rosmarinic acid, Labiatenic acid, rosmarinate acid, Rosmarinic acid racemate, Spectrum3_001995
| Molecular Formula | C18H16O8 |
|---|---|
| Molecular Weight | 360.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 360.0845 |
| Heavy Atoms | 26 |
| Complexity | 519.0 |
| Melting Point | 171-175 °C |
| Density | 1.547 g/cu cm |
| Solubility | Soluble in ethanol, DMSO or dimethyl formamide to approximately 25 mg/mL |
Chemical Identifiers
| CAS Number | 20283-92-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O |
| InChIKey | DOUMFZQKYFQNTF-UHFFFAOYSA-N |
Product Overview
迷迭香酸 (CAS 20283-92-5), with molecular formula C18H16O8 and molecular weight 360.08 g/mol. IUPAC: 3-(3,4-dihydroxyphenyl)-2-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]propanoic acid.
Chemical Property Profile of 迷迭香酸
Property Insights of 迷迭香酸
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 迷迭香酸. The TPSA of 145.0 Ų indicates high polarity, suggesting 迷迭香酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 迷迭香酸 has 5 hydrogen bond donor(s) and 8 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 迷迭香酸?
The CAS number of 迷迭香酸 is 20283-92-5.
What is the molecular formula of 迷迭香酸?
The molecular formula of 迷迭香酸 is C18H16O8.
What is the molecular weight of 迷迭香酸?
The molecular weight of 迷迭香酸 is 360.08 g/mol.
Where can I buy 迷迭香酸?
You can request a quote for 迷迭香酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 迷迭香酸?
Yes, KEHONG BIO provides custom synthesis services for 迷迭香酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.