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CAS 15585-43-0 rivanicline molecular structure lightbox
CAS RN: 15585-43-0

rivanicline

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260605 10mg / 50mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS15585-43-0
  • Purity/Analytical Methods: >99.0%
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15585-43-0 / (E)-N-methyl-4-pyridin-3-ylbut-3-en-1-amine

Standard CAS: 15585-43-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
15585-43-0
Multi CAS
No
Molecular Formula
C10H14N2
Molecular Weight
162.230000
Exact Mass
162.115698
SMILES
CNCC/C=C/C1=CN=CC=C1
InChI
InChI=1S/C10H14N2/c1-11-7-3-2-5-10-6-4-8-12-9-10/h2,4-6,8-9,11H,3,7H2,1H3/b5-2+
InChIKey
JUOSGGQXEBBCJB-GORDUTHDSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.81
TPSA
24.92

LogP / Solubility

WLOGP
1.7
MLOGP
1.5
XLogP3
1.1
Consensus LogP
1.43
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
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)
-2.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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