Spiroxatrine
TL;DR: Spiroxatrine (CAS 1054-88-2) is a chemical compound with molecular formula C22H25N3O3 and molecular weight 379.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Also Known As: Spiroxatrine, Espiroxatrina, Spiroxatrinum, Spiroxatrine (R 5188), Spiroxatrine [INN]
| Molecular Formula | C22H25N3O3 |
|---|---|
| Molecular Weight | 379.19 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 379.1896 |
| Heavy Atoms | 28 |
| Complexity | 557.0 |
Chemical Identifiers
| CAS Number | 1054-88-2 |
|---|---|
| SMILES | C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CC4COC5=CC=CC=C5O4 |
| InChIKey | JVGBTTIJPBFLTE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Spiroxatrine (CAS 1054-88-2), with molecular formula C22H25N3O3 and molecular weight 379.19 g/mol. IUPAC: 8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
Chemical Property Profile of Spiroxatrine
Property Insights of Spiroxatrine
The XLogP value of 3.1 indicates that Spiroxatrine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, Spiroxatrine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Spiroxatrine 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 Spiroxatrine?
The CAS number of Spiroxatrine is 1054-88-2.
What is the molecular formula of Spiroxatrine?
The molecular formula of Spiroxatrine is C22H25N3O3.
What is the molecular weight of Spiroxatrine?
The molecular weight of Spiroxatrine is 379.19 g/mol.
Where can I buy Spiroxatrine?
You can request a quote for Spiroxatrine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spiroxatrine?
Yes, KEHONG BIO provides custom synthesis services for Spiroxatrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.