无水硫酸小檗碱
TL;DR: 无水硫酸小檗碱 (CAS 316-41-6) is a chemical compound with molecular formula C40H36N2O12S and molecular weight 768.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
无水硫酸小檗碱
bis(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);sulfate
Also Known As: Berberine sulphate, BERBERINE SULFATE, Berberin sulfate, Berberal, Erben
| Molecular Formula | C40H36N2O12S |
|---|---|
| Molecular Weight | 768.20 g/mol |
| LogP | 4.85 |
| Topological Polar Surface Area | 170.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 768.1989 |
| Heavy Atoms | 55 |
| Complexity | 551.0 |
| Solubility | INSOL IN CHLOROFORM /TRIHYDRATE/ |
Chemical Identifiers
| CAS Number | 316-41-6 |
|---|---|
| SMILES | COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.[O-]S(=O)(=O)[O-] |
| InChIKey | OJVABJMSSDUECT-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
无水硫酸小檗碱 (CAS 316-41-6), with molecular formula C40H36N2O12S and molecular weight 768.20 g/mol. IUPAC: bis(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);sulfate.
Chemical Property Profile of 无水硫酸小檗碱
Property Insights of 无水硫酸小檗碱
The XLogP value of 4.85 indicates that 无水硫酸小檗碱 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 170.0 Ų indicates high polarity, suggesting 无水硫酸小檗碱 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 无水硫酸小檗碱 has 0 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 无水硫酸小檗碱?
The CAS number of 无水硫酸小檗碱 is 316-41-6.
What is the molecular formula of 无水硫酸小檗碱?
The molecular formula of 无水硫酸小檗碱 is C40H36N2O12S.
What is the molecular weight of 无水硫酸小檗碱?
The molecular weight of 无水硫酸小檗碱 is 768.20 g/mol.
Where can I buy 无水硫酸小檗碱?
You can request a quote for 无水硫酸小檗碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 无水硫酸小檗碱?
Yes, KEHONG BIO provides custom synthesis services for 无水硫酸小檗碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.