CAS RN: 1021933-95-8
Venlafaxine N-Oxide Impurity
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260114 | 100mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1021933-95-8
- Purity/Analytical Methods: >99.0%
1021933-95-8 / 2-(1-hydroxycyclohexyl)-2-(4-hydroxyphenyl)-N,N-dimethylethanamine oxide
Venlafaxine N-Oxide Impurity | Desvenlafaxine N-Oxide | 2-(1-Hydroxycyclohexyl)-2-(4-hydroxyphenyl)-N,N-dimethylethanamine oxide
Basic Information
CAS
1021933-95-8
Multi CAS
No
Molecular Formula
C16H25NO3
Molecular Weight
279.370000
Exact Mass
279.183444
SMILES
C[N+](C)(CC(C1=CC=C(C=C1)O)C2(CCCCC2)O)[O-]
InChI
InChI=1S/C16H25NO3/c1-17(2,20)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
InChIKey
CZFVXEWRFNKSSC-UHFFFAOYSA-N
Synonyms
Venlafaxine N-Oxide Impurity
Desvenlafaxine N-Oxide
2-(1-Hydroxycyclohexyl)-2-(4-hydroxyphenyl)-N,N-dimethylethanamine oxide
Venlafaxine Impurity 15
WS77A8HHQ8
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
79.23
TPSA
63.52
LogP / Solubility
WLOGP
2.75
MLOGP
2.43
XLogP3
2
Consensus LogP
2.39
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.83
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.23
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.48
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
2
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