Proanthocyanidin B4
TL;DR: Proanthocyanidin B4 (CAS 51196-38-4) 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,3R)-2-(3,4-dihydroxyphenyl)-8-[(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: Proanthocyanidin B4, Procyanidin B2, Catechin-(4beta,8)-epicatechin, (2R,2 R,3S,3 R,4R)-2,2 -Bis(3,4-dihydroxyphenyl)-3,3 ,4,4 -tetrahydro-4,8 -bi[2H-1-benzopyran]-3,3 ,5,5 ,7,7 -hexol, (2R,2'R,3S,3'R,4R)-2,2'-Bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-[4,8'-bi-1-benzopyran]-3,3',5,5',7,7'-hexol
| Molecular Formula | C30H26O12 |
|---|---|
| Molecular Weight | 578.14 g/mol |
| LogP | 2.995 |
| Topological Polar Surface Area | 220.76 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 3 |
| Exact Mass | 578.14246 |
| Heavy Atoms | 42 |
| Complexity | 1717.7617 |
Chemical Identifiers
| CAS Number | 51196-38-4 |
|---|---|
| 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)O)O)O)C6=CC(=C(C=C6)O)O)O |
Product Overview
Proanthocyanidin B4 (CAS 51196-38-4), with molecular formula C30H26O12 and molecular weight 578.14 g/mol. IUPAC: (2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(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 Proanthocyanidin B4
Property Insights of Proanthocyanidin B4
The XLogP value of 2.995 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Proanthocyanidin B4. The TPSA of 220.76 Ų indicates high polarity, suggesting Proanthocyanidin B4 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Proanthocyanidin B4 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 Proanthocyanidin B4?
The CAS number of Proanthocyanidin B4 is 51196-38-4.
What is the molecular formula of Proanthocyanidin B4?
The molecular formula of Proanthocyanidin B4 is C30H26O12.
What is the molecular weight of Proanthocyanidin B4?
The molecular weight of Proanthocyanidin B4 is 578.14 g/mol.
Where can I buy Proanthocyanidin B4?
You can request a quote for Proanthocyanidin B4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Proanthocyanidin B4?
Yes, KEHONG BIO provides custom synthesis services for Proanthocyanidin B4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.