Santonine oxime
TL;DR: Santonine oxime (CAS 50465-02-6) is a chemical compound with molecular formula C15H19NO3 and molecular weight 261.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,3aS,5aS,8E,9bS)-8-hydroxyimino-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2-one
Also Known As: Santonine oxime, Chromosantonin-oxim, SANTONINE, OXIME, EINECS 256-594-9, (3S)-8-Hydroxyimino-3abeta,4,5,5a,8,9balpha-hexahydro-3beta,5aalpha,9-trimethylnaphtho[1,2-b]furan-2(3H)-one
| Molecular Formula | C15H19NO3 |
|---|---|
| Molecular Weight | 261.14 g/mol |
| LogP | 2.6807 |
| Topological Polar Surface Area | 58.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 261.1365 |
| Heavy Atoms | 19 |
| Complexity | 531.5088 |
Chemical Identifiers
| CAS Number | 50465-02-6 |
|---|---|
| SMILES | C[C@H]1[C@@H]2CC[C@]3(C=C/C(=N\O)/C(=C3[C@H]2OC1=O)C)C |
Product Overview
Santonine oxime (CAS 50465-02-6), with molecular formula C15H19NO3 and molecular weight 261.14 g/mol. IUPAC: (3S,3aS,5aS,8E,9bS)-8-hydroxyimino-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2-one.
Chemical Property Profile of Santonine oxime
Property Insights of Santonine oxime
The XLogP value of 2.6807 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Santonine oxime. With a topological polar surface area (TPSA) of 58.89 Ų, Santonine oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Santonine oxime has 1 hydrogen bond donor(s) and 4 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 Santonine oxime?
The CAS number of Santonine oxime is 50465-02-6.
What is the molecular formula of Santonine oxime?
The molecular formula of Santonine oxime is C15H19NO3.
What is the molecular weight of Santonine oxime?
The molecular weight of Santonine oxime is 261.14 g/mol.
Where can I buy Santonine oxime?
You can request a quote for Santonine oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Santonine oxime?
Yes, KEHONG BIO provides custom synthesis services for Santonine oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.