Berberastine
TL;DR: Berberastine (CAS 2435-73-6) is a chemical compound with molecular formula C20H18NO5+ and molecular weight 352.12 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-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-11-ol
Also Known As: Berberastine, Berberine Impurity 3, Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-5-hydroxy-9,10-dimethoxy-, 16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-11-ol, 5,6-Dihydro-5-hydroxy-9,10-dimethoxybenzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium
| Molecular Formula | C20H18NO5+ |
|---|---|
| Molecular Weight | 352.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 61.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 352.1185 |
| Heavy Atoms | 26 |
| Complexity | 518.0 |
Chemical Identifiers
| CAS Number | 2435-73-6 |
|---|---|
| SMILES | COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4C(C3)O)OCO5)OC |
| InChIKey | VFCGRXCCUHLLIP-UHFFFAOYSA-N |
Product Overview
Berberastine (CAS 2435-73-6), with molecular formula C20H18NO5+ and molecular weight 352.12 g/mol. IUPAC: 16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-11-ol.
Chemical Property Profile of Berberastine
Property Insights of Berberastine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Berberastine. The TPSA of 61.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Berberastine. Following Lipinski's Rule of Five, Berberastine has 1 hydrogen bond donor(s) and 5 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 Berberastine?
The CAS number of Berberastine is 2435-73-6.
What is the molecular formula of Berberastine?
The molecular formula of Berberastine is C20H18NO5+.
What is the molecular weight of Berberastine?
The molecular weight of Berberastine is 352.12 g/mol.
Where can I buy Berberastine?
You can request a quote for Berberastine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Berberastine?
Yes, KEHONG BIO provides custom synthesis services for Berberastine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.