CAS RN: 101687-28-9
Senecivernine N-Oxide
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250505 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS101687-28-9
- Purity/Analytical Methods: >99.0%
101687-28-9 / (1R,5R,6R,7R,17R)-7-hydroxy-5,6,7-trimethyl-4-methylidene-14-oxido-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
MFCD31697778 | NS00066998
Basic Information
CAS
101687-28-9
Multi CAS
Yes
Molecular Formula
C18H25NO6
Molecular Weight
351.400000
Exact Mass
351.168188
SMILES
C[C@@H]1[C@H]([C@@](C(=O)OCC2=CC[N+]3([C@H]2[C@@H](CC3)OC(=O)C1=C)[O-])(C)O)C
InChI
InChI=1S/C18H25NO6/c1-10-11(2)16(20)25-14-6-8-19(23)7-5-13(15(14)19)9-24-17(21)18(4,22)12(10)3/h5,10,12,14-15,22H,2,6-9H2,1,3-4H3
InChIKey
GDDNFNQRHNCJAZ-UHFFFAOYSA-N
Synonyms
MFCD31697778
NS00066998
Computed Properties
Structural Parameters
Heavy atom count
25
Fraction Csp3
0.67
H-bond acceptors
6
H-bond donors
1
Molar refractivity
88.78
TPSA
95.89
LogP / Solubility
WLOGP
1.06
MLOGP
0.95
XLogP3
0.6
Consensus LogP
0.87
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.82
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7
Safety & Transport
Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P316, P321, P330, P405, and P501
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