Spiguetine
TL;DR: Spiguetine (CAS 112494-56-1) is a chemical compound with molecular formula C19H18N2O3 and molecular weight 322.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-methoxy-11-methyl-3,5-dioxa-11,13-diazapentacyclo[10.8.1.02,6.08,21.015,20]henicosa-1(21),2(6),7,13,15(20),16,18-heptaene
Also Known As: Spiguetine, 11-Methoxy-7-methyl-5,6,7,7a-tetrahydro-2H-[1,3]dioxolo[6,7]isoquinolino[1,8-cd][2]benzazepine, RefChem:380809
| Molecular Formula | C19H18N2O3 |
|---|---|
| Molecular Weight | 322.13 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 43.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 322.13174 |
| Heavy Atoms | 24 |
| Complexity | 513.0 |
Chemical Identifiers
| CAS Number | 112494-56-1 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C4=C2C1N=CC5=C4C=CC(=C5)OC)OCO3 |
| InChIKey | LBQHMFHBCMWQAG-UHFFFAOYSA-N |
Product Overview
Spiguetine (CAS 112494-56-1), with molecular formula C19H18N2O3 and molecular weight 322.13 g/mol. IUPAC: 17-methoxy-11-methyl-3,5-dioxa-11,13-diazapentacyclo[10.8.1.02,6.08,21.015,20]henicosa-1(21),2(6),7,13,15(20),16,18-heptaene.
Chemical Property Profile of Spiguetine
Property Insights of Spiguetine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Spiguetine. With a topological polar surface area (TPSA) of 43.3 Ų, Spiguetine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Spiguetine has 0 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 Spiguetine?
The CAS number of Spiguetine is 112494-56-1.
What is the molecular formula of Spiguetine?
The molecular formula of Spiguetine is C19H18N2O3.
What is the molecular weight of Spiguetine?
The molecular weight of Spiguetine is 322.13 g/mol.
Where can I buy Spiguetine?
You can request a quote for Spiguetine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spiguetine?
Yes, KEHONG BIO provides custom synthesis services for Spiguetine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.