CAS RN: 1000026-77-6
Morphinan-6-one, 7,8-didehydro-4-hydroxy-3,7-dimethoxy-17-methyl-, 17-oxide, (9α,13α,14α)-
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.20250223 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1000026-77-6
- Purity/Analytical Methods: >99.0%
1000026-77-6 / (1R,9S,10S)-3-hydroxy-4,12-dimethoxy-17-methyl-17-oxido-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-13-one
Sinomenine N-oxide | 1000026-77-6 | orb1296893
Basic Information
CAS
1000026-77-6
Multi CAS
Yes
Molecular Formula
C19H23NO5
Molecular Weight
345.400000
Exact Mass
345.157623
SMILES
C[N+]1(CC[C@@]23CC(=O)C(=C[C@@H]2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)[O-]
InChI
InChI=1S/C19H23NO5/c1-20(23)7-6-19-10-14(21)16(25-3)9-12(19)13(20)8-11-4-5-15(24-2)18(22)17(11)19/h4-5,9,12-13,22H,6-8,10H2,1-3H3/t12-,13+,19-,20?/m1/s1
InChIKey
IQCNMIIBBLJCAC-SLAUIZBQSA-N
Synonyms
Sinomenine N-oxide
1000026-77-6
orb1296893
(+)-SINOMENINE N-OXIDE
HY-151241
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
91.07
TPSA
78.82
LogP / Solubility
WLOGP
2.03
MLOGP
1.8
XLogP3
1.6
Consensus LogP
1.81
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.86
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.83
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
7
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