CAS RN: 36967-47-2
Cis-N-benzyl-4-phenylcyclohexan-1-amine hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250602 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS36967-47-2
- Purity/Analytical Methods: >99.0%
36967-47-2 / N-benzyl-4-phenylcyclohexan-1-amine;hydrochloride
Basic Information
CAS
36967-47-2
Multi CAS
No
Molecular Formula
C19H24CLN
Molecular Weight
301.900000
Exact Mass
301.159728
InChI
InChI=1S/C19H23N.ClH/c1-3-7-16(8-4-1)15-20-19-13-11-18(12-14-19)17-9-5-2-6-10-17;/h1-10,18-20H,11-15H2;1H
InChIKey
ULVYYRKMBSSCNY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
91.97
TPSA
12.03
LogP / Solubility
WLOGP
4.92
MLOGP
4.35
XLogP3
4.92
Consensus LogP
4.73
Log S (ESOL)
-4.97
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.19
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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