Senecionine N-oxide
TL;DR: Senecionine N-oxide (CAS 13268-67-2) is a chemical compound with molecular formula C18H25NO6 and molecular weight 351.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,6R,7R,17R)-4-ethylidene-7-hydroxy-6,7-dimethyl-14-oxido-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
Also Known As: Senecionine N-oxide, NCI60_000157
| Molecular Formula | C18H25NO6 |
|---|---|
| Molecular Weight | 351.17 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 90.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 351.16818 |
| Heavy Atoms | 25 |
| Complexity | 656.0 |
Chemical Identifiers
| CAS Number | 13268-67-2 |
|---|---|
| SMILES | CC=C1C[C@H]([C@@](C(=O)OCC2=CC[N+]3([C@H]2[C@@H](CC3)OC1=O)[O-])(C)O)C |
| InChIKey | PLGBHVNNYDZWGZ-SVYPQVFCSA-N |
Product Overview
Senecionine N-oxide (CAS 13268-67-2), with molecular formula C18H25NO6 and molecular weight 351.17 g/mol. IUPAC: (1R,6R,7R,17R)-4-ethylidene-7-hydroxy-6,7-dimethyl-14-oxido-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione.
Chemical Property Profile of Senecionine N-oxide
Property Insights of Senecionine N-oxide
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Senecionine N-oxide. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Senecionine N-oxide. Following Lipinski's Rule of Five, Senecionine N-oxide has 1 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 Senecionine N-oxide?
The CAS number of Senecionine N-oxide is 13268-67-2.
What is the molecular formula of Senecionine N-oxide?
The molecular formula of Senecionine N-oxide is C18H25NO6.
What is the molecular weight of Senecionine N-oxide?
The molecular weight of Senecionine N-oxide is 351.17 g/mol.
Where can I buy Senecionine N-oxide?
You can request a quote for Senecionine N-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Senecionine N-oxide?
Yes, KEHONG BIO provides custom synthesis services for Senecionine N-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.