Proanthocyanidin A2
TL;DR: Proanthocyanidin A2 (CAS 111466-30-9) is a chemical compound with molecular formula C30H24O12 and molecular weight 576.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,5R,6R,13R)-5,13-bis(3,4-dihydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol
Also Known As: Proanthocyanidin A2, 8,14-Methano-2H,14H-1-benzopyrano[7,8-d][1,3]benzodioxocin-3,5,11,13,15-pentol, 2,8-bis(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R,3R,8R,14S,15S)-
| Molecular Formula | C30H24O12 |
|---|---|
| Molecular Weight | 576.13 g/mol |
| LogP | 2.7935 |
| Topological Polar Surface Area | 209.76 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 2 |
| Exact Mass | 576.1268 |
| Heavy Atoms | 42 |
| Complexity | 1785.3027 |
Chemical Identifiers
| CAS Number | 111466-30-9 |
|---|---|
| SMILES | C1[C@H]([C@H](OC2=C1C(=CC3=C2[C@H]4C([C@@](O3)(OC5=CC(=CC(=C45)O)O)C6=CC(=C(C=C6)O)O)O)O)C7=CC(=C(C=C7)O)O)O |
Product Overview
Proanthocyanidin A2 (CAS 111466-30-9), with molecular formula C30H24O12 and molecular weight 576.13 g/mol. IUPAC: (1S,5R,6R,13R)-5,13-bis(3,4-dihydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol.
Chemical Property Profile of Proanthocyanidin A2
Property Insights of Proanthocyanidin A2
The XLogP value of 2.7935 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Proanthocyanidin A2. The TPSA of 209.76 Ų indicates high polarity, suggesting Proanthocyanidin A2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Proanthocyanidin A2 has 9 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 A2?
The CAS number of Proanthocyanidin A2 is 111466-30-9.
What is the molecular formula of Proanthocyanidin A2?
The molecular formula of Proanthocyanidin A2 is C30H24O12.
What is the molecular weight of Proanthocyanidin A2?
The molecular weight of Proanthocyanidin A2 is 576.13 g/mol.
Where can I buy Proanthocyanidin A2?
You can request a quote for Proanthocyanidin A2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Proanthocyanidin A2?
Yes, KEHONG BIO provides custom synthesis services for Proanthocyanidin A2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.