CAS RN: 82867-36-5
2-cyclohexyl-1-phenylethan-1-amine hydrochloride
- Product code: SSC-190892
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
82867-36-5 / 2-cyclohexyl-1-phenylethanamine;hydrochloride
Basic Information
CAS
82867-36-5
Multi CAS
No
Molecular Formula
C14H22CLN
Molecular Weight
239.780000
Exact Mass
239.144077
InChI
InChI=1S/C14H21N.ClH/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12;/h2,5-6,9-10,12,14H,1,3-4,7-8,11,15H2;1H
InChIKey
AYIPBMNZJFZUON-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
71.81
TPSA
26.02
LogP / Solubility
WLOGP
4.08
MLOGP
3.59
XLogP3
4.08
Consensus LogP
3.92
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.96
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
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)
-1.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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