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CAS 1508-46-9 Scopine Methobromide molecular structure lightbox
CAS RN: 1508-46-9

Scopine Methobromide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250604 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1508-46-9
  • Purity/Analytical Methods: >99.0%
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1508-46-9 / 9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-ol bromide

Standard CAS: 1508-46-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1508-46-9
Multi CAS
No
Molecular Formula
C9H16BrNO2
Molecular Weight
250.130000
Exact Mass
249.036440
SMILES
C[N+]1(C2CC(CC1C3C2O3)O)C.[Br-]
InChI
InChI=1S/C9H16NO2.BrH/c1-10(2)6-3-5(11)4-7(10)9-8(6)12-9;/h5-9,11H,3-4H2,1-2H3;1H/q+1;/p-1
InChIKey
IKDFZBCJDLZSNH-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.59
TPSA
32.76

LogP / Solubility

WLOGP
-3.26
MLOGP
-2.86
XLogP3
-3.26
Consensus LogP
-3.13
Log S (ESOL)
0.66
Class (ESOL)
Highly soluble
Log S (Ali)
0.74
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.42
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-6.56

Drug-likeness / Medicinal Chemistry

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

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