Spiguetidine
TL;DR: Spiguetidine (CAS 112494-57-2) is a chemical compound with molecular formula C18H16N2O3 and molecular weight 308.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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-heptaen-17-ol
Also Known As: Spiguetidine, 7-Methyl-5,6,7,7a-tetrahydro-2H-[1,3]dioxolo[6,7]isoquinolino[1,8-cd][2]benzazepin-11-ol, RefChem:380808
| Molecular Formula | C18H16N2O3 |
|---|---|
| Molecular Weight | 308.12 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 54.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 308.1161 |
| Heavy Atoms | 23 |
| Complexity | 499.0 |
Chemical Identifiers
| CAS Number | 112494-57-2 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C4=C2C1N=CC5=C4C=CC(=C5)O)OCO3 |
| InChIKey | FHIDFFNXBQHJEV-UHFFFAOYSA-N |
Product Overview
Spiguetidine (CAS 112494-57-2), with molecular formula C18H16N2O3 and molecular weight 308.12 g/mol. IUPAC: 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-heptaen-17-ol.
Chemical Property Profile of Spiguetidine
Property Insights of Spiguetidine
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Spiguetidine. With a topological polar surface area (TPSA) of 54.3 Ų, Spiguetidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Spiguetidine has 1 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 Spiguetidine?
The CAS number of Spiguetidine is 112494-57-2.
What is the molecular formula of Spiguetidine?
The molecular formula of Spiguetidine is C18H16N2O3.
What is the molecular weight of Spiguetidine?
The molecular weight of Spiguetidine is 308.12 g/mol.
Where can I buy Spiguetidine?
You can request a quote for Spiguetidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spiguetidine?
Yes, KEHONG BIO provides custom synthesis services for Spiguetidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.