Berberinol
TL;DR: Berberinol (CAS 10134-52-8) is a chemical compound with molecular formula C20H19NO5 and molecular weight 353.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaen-14-ol
Also Known As: Berberinol, Berberine Impurity 33, 8-Hydroxy-7,8-dihydroberberine, 9,10-Dimethoxy-2,3-(methylenedioxy)-13,13a-didehydro-8-berbinol, J1.899.012A
| Molecular Formula | C20H19NO5 |
|---|---|
| Molecular Weight | 353.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 353.1263 |
| Heavy Atoms | 26 |
| Complexity | 568.0 |
Chemical Identifiers
| CAS Number | 10134-52-8 |
|---|---|
| SMILES | COC1=C(C2=C(C=C1)C=C3C4=CC5=C(C=C4CCN3C2O)OCO5)OC |
| InChIKey | ZRBGFWOXAQPDTH-UHFFFAOYSA-N |
Product Overview
Berberinol (CAS 10134-52-8), with molecular formula C20H19NO5 and molecular weight 353.13 g/mol. IUPAC: 16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaen-14-ol.
Chemical Property Profile of Berberinol
Property Insights of Berberinol
The XLogP value of 3.0 indicates that Berberinol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Berberinol. Following Lipinski's Rule of Five, Berberinol has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Berberinol?
The CAS number of Berberinol is 10134-52-8.
What is the molecular formula of Berberinol?
The molecular formula of Berberinol is C20H19NO5.
What is the molecular weight of Berberinol?
The molecular weight of Berberinol is 353.13 g/mol.
Where can I buy Berberinol?
You can request a quote for Berberinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Berberinol?
Yes, KEHONG BIO provides custom synthesis services for Berberinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.