二没食子酸
TL;DR: 二没食子酸 (CAS 536-08-3) is a chemical compound with molecular formula C14H10O9 and molecular weight 322.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二没食子酸
3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoic acid
Also Known As: Digallic acid, m-Digallic acid, m-Galloylgallic acid, Gallic acid 3-monogallate, digallate
| Molecular Formula | C14H10O9 |
|---|---|
| Molecular Weight | 322.03 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 165.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.03247 |
| Heavy Atoms | 23 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 536-08-3 |
|---|---|
| SMILES | C1=C(C=C(C(=C1O)O)O)C(=O)OC2=CC(=CC(=C2O)O)C(=O)O |
| InChIKey | COVFEVWNJUOYRL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二没食子酸 (CAS 536-08-3), with molecular formula C14H10O9 and molecular weight 322.03 g/mol. IUPAC: 3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoic acid.
Chemical Property Profile of 二没食子酸
Property Insights of 二没食子酸
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二没食子酸. The TPSA of 165.0 Ų indicates high polarity, suggesting 二没食子酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 二没食子酸 has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 二没食子酸?
The CAS number of 二没食子酸 is 536-08-3.
What is the molecular formula of 二没食子酸?
The molecular formula of 二没食子酸 is C14H10O9.
What is the molecular weight of 二没食子酸?
The molecular weight of 二没食子酸 is 322.03 g/mol.
Where can I buy 二没食子酸?
You can request a quote for 二没食子酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二没食子酸?
Yes, KEHONG BIO provides custom synthesis services for 二没食子酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.