2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxychroman-3-Yl 3,4,5-Trihydroxybenzoate
TL;DR: 2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxychroman-3-Yl 3,4,5-Trihydroxybenzoate (CAS 106447-97-6) is a chemical compound with molecular formula C22H18O10 and molecular weight 442.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
Also Known As: (-)-epicatechingallate, (-)-Catechin gallate, (-)-Epicatechin gallate, Epicatechin gallate, 3-Galloylcatechin
| Molecular Formula | C22H18O10 |
|---|---|
| Molecular Weight | 442.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 177.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 442.09 |
| Heavy Atoms | 32 |
| Complexity | 649.0 |
Chemical Identifiers
| CAS Number | 106447-97-6 |
|---|---|
| SMILES | C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O |
| InChIKey | LSHVYAFMTMFKBA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxychroman-3-Yl 3,4,5-Trihydroxybenzoate (CAS 106447-97-6), with molecular formula C22H18O10 and molecular weight 442.09 g/mol. IUPAC: [2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate.
Chemical Property Profile of 2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxychroman-3-Yl 3,4,5-Trihydroxybenzoate
Property Insights of 2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxychroman-3-Yl 3,4,5-Trihydroxybenzoate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxychroman-3-Yl 3,4,5-Trihydroxybenzoate. The TPSA of 177.0 Ų indicates high polarity, suggesting 2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxychroman-3-Yl 3,4,5-Trihydroxybenzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxychroman-3-Yl 3,4,5-Trihydroxybenzoate has 7 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 2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxychroman-3-Yl 3,4,5-Trihydroxybenzoate?
The CAS number of 2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxychroman-3-Yl 3,4,5-Trihydroxybenzoate is 106447-97-6.
What is the molecular formula of 2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxychroman-3-Yl 3,4,5-Trihydroxybenzoate?
The molecular formula of 2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxychroman-3-Yl 3,4,5-Trihydroxybenzoate is C22H18O10.
What is the molecular weight of 2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxychroman-3-Yl 3,4,5-Trihydroxybenzoate?
The molecular weight of 2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxychroman-3-Yl 3,4,5-Trihydroxybenzoate is 442.09 g/mol.
Where can I buy 2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxychroman-3-Yl 3,4,5-Trihydroxybenzoate?
You can request a quote for 2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxychroman-3-Yl 3,4,5-Trihydroxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxychroman-3-Yl 3,4,5-Trihydroxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxychroman-3-Yl 3,4,5-Trihydroxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.