Stebisimine
TL;DR: Stebisimine (CAS 5692-04-6) is a chemical compound with molecular formula C36H34N2O6 and molecular weight 590.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,20,21,25-tetramethoxy-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-1(30),3(36),4,6,9(35),10,12(34),14,18,20,22(33),24,26,31-tetradecaene
Also Known As: Stebisimine, Benzoylamidoacetonitrile, 2H-1,24:12,15-Dietheno-6,10-metheno-16H-pyrido(2',3':17,18)(1,10)dioxacycloeicosino(2,3,4-ij)isoquinoline, 3,5,18,19-tetrahydro-9,21,22,26-tetramethoxy-, 6,6',7,12'-Tetramethoxy-1,1',2,2'-tetradehydrooxyacanthan, 3,5,18,19-Tetrahydro-9,21,22,26-tetramethoxy-2H-1,24:12,15-dietheno-6,10-metheno-16H-pyrido[2 ,3 :17,18][1,10]dioxacycloicosino[2,3,4-ij]isoquinoline
| Molecular Formula | C36H34N2O6 |
|---|---|
| Molecular Weight | 590.24 g/mol |
| LogP | 6.7948 |
| Topological Polar Surface Area | 80.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 590.2417 |
| Heavy Atoms | 44 |
| Complexity | 1809.034 |
Chemical Identifiers
| CAS Number | 5692-04-6 |
|---|---|
| SMILES | COC1=C2C=C(CC3=NCCC4=CC(=C(C=C43)OC5=C6C(=CC(=C5OC)OC)CCN=C6CC7=CC=C(O2)C=C7)OC)C=C1 |
Product Overview
Stebisimine (CAS 5692-04-6), with molecular formula C36H34N2O6 and molecular weight 590.24 g/mol. IUPAC: 6,20,21,25-tetramethoxy-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-1(30),3(36),4,6,9(35),10,12(34),14,18,20,22(33),24,26,31-tetradecaene.
Chemical Property Profile of Stebisimine
Property Insights of Stebisimine
The XLogP value of 6.7948 indicates that Stebisimine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Stebisimine. Following Lipinski's Rule of Five, Stebisimine has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Stebisimine?
The CAS number of Stebisimine is 5692-04-6.
What is the molecular formula of Stebisimine?
The molecular formula of Stebisimine is C36H34N2O6.
What is the molecular weight of Stebisimine?
The molecular weight of Stebisimine is 590.24 g/mol.
Where can I buy Stebisimine?
You can request a quote for Stebisimine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Stebisimine?
Yes, KEHONG BIO provides custom synthesis services for Stebisimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.