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CAS 71195-57-8 Bicifadine molecular structure lightbox
CAS RN: 71195-57-8

Bicifadine

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Batchno.20250615 100mg Out of stock Inquiry
  • Product code: starshine_CAS71195-57-8
  • Purity/Analytical Methods: >99.0%
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71195-57-8 / 1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane

Standard CAS: 71195-57-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
71195-57-8
Multi CAS
Yes
Molecular Formula
C12H15N
Molecular Weight
173.250000
Exact Mass
173.120449
InChI
InChI=1S/C12H15N/c1-9-2-4-10(5-3-9)12-6-11(12)7-13-8-12/h2-5,11,13H,6-8H2,1H3
InChIKey
OFYVIGTWSQPCLF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.83
TPSA
12.03

LogP / Solubility

WLOGP
1.86
MLOGP
1.63
XLogP3
2.1
Consensus LogP
1.86
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.45
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)
-2.46

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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