1,3,4,5-四-O-没食子酰奎尼酸
TL;DR: 1,3,4,5-四-O-没食子酰奎尼酸 (CAS 123166-70-1) is a chemical compound with molecular formula C35H28O22 and molecular weight 800.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,4,5-四-O-没食子酰奎尼酸
trans-(3R,5R)-1,3,4,5-tetrakis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexane-1-carboxylic acid
Also Known As: Tetragalloylquinic acid, 1,3,4,5-Tetragqa, 1,3,4,5-TetragGQA, 1,3,4,5-tetra-O-galloylquinic acid, 1,4,5-tetra-O-galloylquinic acid
| Molecular Formula | C35H28O22 |
|---|---|
| Molecular Weight | 800.11 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 385.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 13 |
| Exact Mass | 800.10724 |
| Heavy Atoms | 57 |
| Complexity | 1370.0 |
Chemical Identifiers
| CAS Number | 123166-70-1 |
|---|---|
| SMILES | C1[C@H](C([C@@H](CC1(C(=O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O |
| InChIKey | JQVXKQDWMIXILH-JHZIIMIVSA-N |
Product Overview
1,3,4,5-四-O-没食子酰奎尼酸 (CAS 123166-70-1), with molecular formula C35H28O22 and molecular weight 800.11 g/mol. IUPAC: trans-(3R,5R)-1,3,4,5-tetrakis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexane-1-carboxylic acid.
Chemical Property Profile of 1,3,4,5-四-O-没食子酰奎尼酸
Property Insights of 1,3,4,5-四-O-没食子酰奎尼酸
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,4,5-四-O-没食子酰奎尼酸. The TPSA of 385.0 Ų indicates high polarity, suggesting 1,3,4,5-四-O-没食子酰奎尼酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3,4,5-四-O-没食子酰奎尼酸 has 13 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3,4,5-四-O-没食子酰奎尼酸?
The CAS number of 1,3,4,5-四-O-没食子酰奎尼酸 is 123166-70-1.
What is the molecular formula of 1,3,4,5-四-O-没食子酰奎尼酸?
The molecular formula of 1,3,4,5-四-O-没食子酰奎尼酸 is C35H28O22.
What is the molecular weight of 1,3,4,5-四-O-没食子酰奎尼酸?
The molecular weight of 1,3,4,5-四-O-没食子酰奎尼酸 is 800.11 g/mol.
Where can I buy 1,3,4,5-四-O-没食子酰奎尼酸?
You can request a quote for 1,3,4,5-四-O-没食子酰奎尼酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,4,5-四-O-没食子酰奎尼酸?
Yes, KEHONG BIO provides custom synthesis services for 1,3,4,5-四-O-没食子酰奎尼酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.