Procyanidin B6
TL;DR: Procyanidin B6 (CAS 12798-58-2) is a chemical compound with molecular formula C30H26O12 and molecular weight 578.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S)-2-(3,4-dihydroxyphenyl)-6-[(2R,3S,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
Also Known As: Procyanidin B6, Procyanidol B6, Procyanidin B5, Procyanidin dimer B6, Catechin(4a->6)catechin
| Molecular Formula | C30H26O12 |
|---|---|
| Molecular Weight | 578.14 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 221.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 3 |
| Exact Mass | 578.14246 |
| Heavy Atoms | 42 |
| Complexity | 925.0 |
Chemical Identifiers
| CAS Number | 12798-58-2 |
|---|---|
| SMILES | C1[C@@H]([C@H](OC2=C1C(=C(C(=C2)O)[C@H]3[C@@H]([C@H](OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)C6=CC(=C(C=C6)O)O)O |
| InChIKey | GMISZFQPFDAPGI-ZBRHZRBFSA-N |
Product Overview
Procyanidin B6 (CAS 12798-58-2), with molecular formula C30H26O12 and molecular weight 578.14 g/mol. IUPAC: (2R,3S)-2-(3,4-dihydroxyphenyl)-6-[(2R,3S,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol.
Chemical Property Profile of Procyanidin B6
Property Insights of Procyanidin B6
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Procyanidin B6. The TPSA of 221.0 Ų indicates high polarity, suggesting Procyanidin B6 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Procyanidin B6 has 10 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Procyanidin B6?
The CAS number of Procyanidin B6 is 12798-58-2.
What is the molecular formula of Procyanidin B6?
The molecular formula of Procyanidin B6 is C30H26O12.
What is the molecular weight of Procyanidin B6?
The molecular weight of Procyanidin B6 is 578.14 g/mol.
Where can I buy Procyanidin B6?
You can request a quote for Procyanidin B6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Procyanidin B6?
Yes, KEHONG BIO provides custom synthesis services for Procyanidin B6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.