二咖啡酰酒石酸
TL;DR: 二咖啡酰酒石酸 (CAS 52248-48-3) is a chemical compound with molecular formula C22H18O12 and molecular weight 474.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二咖啡酰酒石酸
(2R,3R)-2,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]butanedioic acid
Also Known As: Chicoric acid, Cichoric Acid, L-Chicoric acid, (-)-Chicoric acid, dicaffeoyltartaric acid
| Molecular Formula | C22H18O12 |
|---|---|
| Molecular Weight | 474.08 g/mol |
| LogP | 1.2284 |
| Topological Polar Surface Area | 208.12 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 474.07983 |
| Heavy Atoms | 34 |
| Complexity | 1072.9701 |
Chemical Identifiers
| CAS Number | 52248-48-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1/C=C/C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)/C=C/C2=CC(=C(C=C2)O)O)C(=O)O)O)O |
Product Overview
二咖啡酰酒石酸 (CAS 52248-48-3), with molecular formula C22H18O12 and molecular weight 474.08 g/mol. IUPAC: (2R,3R)-2,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]butanedioic acid.
Chemical Property Profile of 二咖啡酰酒石酸
Property Insights of 二咖啡酰酒石酸
The XLogP value of 1.2284 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二咖啡酰酒石酸. The TPSA of 208.12 Ų indicates high polarity, suggesting 二咖啡酰酒石酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 二咖啡酰酒石酸 has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 二咖啡酰酒石酸?
The CAS number of 二咖啡酰酒石酸 is 52248-48-3.
What is the molecular formula of 二咖啡酰酒石酸?
The molecular formula of 二咖啡酰酒石酸 is C22H18O12.
What is the molecular weight of 二咖啡酰酒石酸?
The molecular weight of 二咖啡酰酒石酸 is 474.08 g/mol.
Where can I buy 二咖啡酰酒石酸?
You can request a quote for 二咖啡酰酒石酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二咖啡酰酒石酸?
Yes, KEHONG BIO provides custom synthesis services for 二咖啡酰酒石酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.