Procyanidin B2 3,3'-di-O-gallate
TL;DR: Procyanidin B2 3,3'-di-O-gallate (CAS 212066-01-8) is a chemical compound with molecular formula C44H34O20 and molecular weight 882.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
Also Known As: Procyanidin B2 3,3'-di-O-gallate, 3,3'-Digalloylprocyanidin B2, B2-3,3'-di-O-gallate, Procyanidin B2 3,3'-di-O-gallate (>80%), Proanthocyanidin B2 3,3'-O-gallate
| Molecular Formula | C44H34O20 |
|---|---|
| Molecular Weight | 882.16 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 354.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 9 |
| Exact Mass | 882.16437 |
| Heavy Atoms | 64 |
| Complexity | 1580.0 |
Chemical Identifiers
| CAS Number | 212066-01-8 |
|---|---|
| SMILES | C1[C@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O)O)O)C7=CC(=C(C=C7)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O |
| InChIKey | KTLUHRSHFRODPS-RIQPQZJCSA-N |
Product Overview
Procyanidin B2 3,3'-di-O-gallate (CAS 212066-01-8), with molecular formula C44H34O20 and molecular weight 882.16 g/mol. IUPAC: [(2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate.
Chemical Property Profile of Procyanidin B2 3,3'-di-O-gallate
Property Insights of Procyanidin B2 3,3'-di-O-gallate
The XLogP value of 4.7 indicates that Procyanidin B2 3,3'-di-O-gallate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 354.0 Ų indicates high polarity, suggesting Procyanidin B2 3,3'-di-O-gallate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Procyanidin B2 3,3'-di-O-gallate has 14 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Procyanidin B2 3,3'-di-O-gallate?
The CAS number of Procyanidin B2 3,3'-di-O-gallate is 212066-01-8.
What is the molecular formula of Procyanidin B2 3,3'-di-O-gallate?
The molecular formula of Procyanidin B2 3,3'-di-O-gallate is C44H34O20.
What is the molecular weight of Procyanidin B2 3,3'-di-O-gallate?
The molecular weight of Procyanidin B2 3,3'-di-O-gallate is 882.16 g/mol.
Where can I buy Procyanidin B2 3,3'-di-O-gallate?
You can request a quote for Procyanidin B2 3,3'-di-O-gallate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Procyanidin B2 3,3'-di-O-gallate?
Yes, KEHONG BIO provides custom synthesis services for Procyanidin B2 3,3'-di-O-gallate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.