Stephaglabrine
TL;DR: Stephaglabrine (CAS 374-00-5) is a chemical compound with molecular formula C36H40N2O10S and molecular weight 692.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((4R)-10,11-dimethoxyspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]-1'-one);sulfuric acid
Also Known As: Stephaglabrine, KST-1A4337, (8a'r)-5',6'-dimethoxy-2',3',8',8a'-tetrahydro-1'h,4h-spiro[cyclohexa-2,5-diene-1,7'-cyclopenta[ij]isoquinolin]-4-one sulfate(2:1), Spiro(2,5-cyclohexadiene-1,7'(1'H)-cyclopent(ij)isoquinolin)-4-one, 2',3',8',8'a-tetrahydro-5',6'-dimethoxy-, (R)-, sulfate (2:1), (4R)-10,11-dimethoxyspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]-1'-one;sulfuric acid
| Molecular Formula | C36H40N2O10S |
|---|---|
| Molecular Weight | 692.24 g/mol |
| LogP | 3.8016 |
| Topological Polar Surface Area | 178.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 692.24036 |
| Heavy Atoms | 49 |
| Complexity | 592.0 |
Chemical Identifiers
| CAS Number | 374-00-5 |
|---|---|
| SMILES | COC1=C(C2=C3[C@@H](CC24C=CC(=O)C=C4)NCCC3=C1)OC.COC1=C(C2=C3[C@@H](CC24C=CC(=O)C=C4)NCCC3=C1)OC.OS(=O)(=O)O |
| InChIKey | WQXNJLWZONPQQK-WFEKIRLUSA-N |
Product Overview
Stephaglabrine (CAS 374-00-5), with molecular formula C36H40N2O10S and molecular weight 692.24 g/mol. IUPAC: bis((4R)-10,11-dimethoxyspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]-1'-one);sulfuric acid.
Chemical Property Profile of Stephaglabrine
Property Insights of Stephaglabrine
The XLogP value of 3.8016 indicates that Stephaglabrine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 178.0 Ų indicates high polarity, suggesting Stephaglabrine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Stephaglabrine has 4 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 Stephaglabrine?
The CAS number of Stephaglabrine is 374-00-5.
What is the molecular formula of Stephaglabrine?
The molecular formula of Stephaglabrine is C36H40N2O10S.
What is the molecular weight of Stephaglabrine?
The molecular weight of Stephaglabrine is 692.24 g/mol.
Where can I buy Stephaglabrine?
You can request a quote for Stephaglabrine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Stephaglabrine?
Yes, KEHONG BIO provides custom synthesis services for Stephaglabrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.