棘囊碱N-氧化物
TL;DR: 棘囊碱N-氧化物 (CAS 20267-93-0) is a chemical compound with molecular formula C15H25NO6 and molecular weight 315.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
棘囊碱N-氧化物
(7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl)methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate
Also Known As: Indicine N-oxide, Echinatine oxide, Echinatine, N-oxide, ECHINATINE N-OXIDE, Rinderine N-oxide
| Molecular Formula | C15H25NO6 |
|---|---|
| Molecular Weight | 315.17 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 315.16818 |
| Heavy Atoms | 22 |
| Complexity | 479.0 |
Chemical Identifiers
| CAS Number | 20267-93-0 |
|---|---|
| SMILES | CC(C)C(C(C)O)(C(=O)OCC1=CC[N+]2(C1C(CC2)O)[O-])O |
| InChIKey | DNAWGBOKUFFVMB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
棘囊碱N-氧化物 (CAS 20267-93-0), with molecular formula C15H25NO6 and molecular weight 315.17 g/mol. IUPAC: (7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl)methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate.
Chemical Property Profile of 棘囊碱N-氧化物
Property Insights of 棘囊碱N-氧化物
The XLogP value of -1.0 indicates that 棘囊碱N-氧化物 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 棘囊碱N-氧化物. Following Lipinski's Rule of Five, 棘囊碱N-氧化物 has 3 hydrogen bond donor(s) and 6 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 棘囊碱N-氧化物?
The CAS number of 棘囊碱N-氧化物 is 20267-93-0.
What is the molecular formula of 棘囊碱N-氧化物?
The molecular formula of 棘囊碱N-氧化物 is C15H25NO6.
What is the molecular weight of 棘囊碱N-氧化物?
The molecular weight of 棘囊碱N-氧化物 is 315.17 g/mol.
Where can I buy 棘囊碱N-氧化物?
You can request a quote for 棘囊碱N-氧化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 棘囊碱N-氧化物?
Yes, KEHONG BIO provides custom synthesis services for 棘囊碱N-氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.