硫酸氢小檗碱
TL;DR: 硫酸氢小檗碱 (CAS 633-66-9) is a chemical compound with molecular formula C20H19NO8S and molecular weight 433.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫酸氢小檗碱
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-octaene;hydrogen sulfate
Also Known As: BERBERINE SULFATE, Berberine bisulfate, Berberine hydrogen sulphate, Berberine hemisulfate, Berberine sulphate
| Molecular Formula | C20H19NO8S |
|---|---|
| Molecular Weight | 433.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 433.08313 |
| Heavy Atoms | 30 |
| Complexity | 564.0 |
Chemical Identifiers
| CAS Number | 633-66-9 |
|---|---|
| SMILES | COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.OS(=O)(=O)[O-] |
| InChIKey | JISRTQBQFQMSLG-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硫酸氢小檗碱 (CAS 633-66-9), with molecular formula C20H19NO8S and molecular weight 433.08 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-octaene;hydrogen sulfate.
Chemical Property Profile of 硫酸氢小檗碱
Property Insights of 硫酸氢小檗碱
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 硫酸氢小檗碱. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 硫酸氢小檗碱. Following Lipinski's Rule of Five, 硫酸氢小檗碱 has 1 hydrogen bond donor(s) and 8 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 硫酸氢小檗碱?
The CAS number of 硫酸氢小檗碱 is 633-66-9.
What is the molecular formula of 硫酸氢小檗碱?
The molecular formula of 硫酸氢小檗碱 is C20H19NO8S.
What is the molecular weight of 硫酸氢小檗碱?
The molecular weight of 硫酸氢小檗碱 is 433.08 g/mol.
Where can I buy 硫酸氢小檗碱?
You can request a quote for 硫酸氢小檗碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫酸氢小檗碱?
Yes, KEHONG BIO provides custom synthesis services for 硫酸氢小檗碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.