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CAS 39965-06-5 Victoxinine molecular structure lightbox
CAS RN: 39965-06-5

Victoxinine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260418 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS39965-06-5
  • Purity/Analytical Methods: >99.0%
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39965-06-5 / 2-[(1R,3S,7R,8S,9S)-1-methyl-2-methylidene-9-propan-2-yl-5-azatricyclo[5.4.0.03,8]undecan-5-yl]ethanol

Standard CAS: 39965-06-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
39965-06-5
Multi CAS
Yes
Molecular Formula
C17H29NO
Molecular Weight
263.400000
Exact Mass
263.224915
InChI
InChI=1S/C17H29NO/c1-11(2)13-5-6-17(4)12(3)14-9-18(7-8-19)10-15(17)16(13)14/h11,13-16,19H,3,5-10H2,1-2,4H3/t13-,14+,15+,16-,17-/m0/s1
InChIKey
DROLRDZYPMOKLM-BIVLZKPYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.88
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
78.8
TPSA
23.47

LogP / Solubility

WLOGP
2.79
MLOGP
2.46
XLogP3
3.2
Consensus LogP
2.81
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.04
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
8

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