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CAS 550-43-6 angustifoline molecular structure lightbox
CAS RN: 550-43-6

angustifoline

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250207 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS550-43-6
  • Purity/Analytical Methods: >99.0%
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550-43-6 / (1R,2R,9S,10S)-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one

Standard CAS: 550-43-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
550-43-6
Multi CAS
Yes
Molecular Formula
C14H22N2O
Molecular Weight
234.340000
Exact Mass
234.173213
InChI
InChI=1S/C14H22N2O/c1-2-4-12-11-7-10(8-15-12)13-5-3-6-14(17)16(13)9-11/h2,10-13,15H,1,3-9H2/t10-,11+,12+,13-/m1/s1
InChIKey
VTIPIBIDDZPDAV-MROQNXINSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.79
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
67.55
TPSA
32.34

LogP / Solubility

WLOGP
1.55
MLOGP
1.37
XLogP3
1.4
Consensus LogP
1.44
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
Class (SILICOS-IT)
Moderately 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)
-3.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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