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CAS 40504-25-4 Cyclohexanamine, 4-phenyl-, hydrochloride (1:1) molecular structure lightbox
CAS RN: 40504-25-4

Cyclohexanamine, 4-phenyl-, hydrochloride (1:1)

  • Product code: SSC-148709
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥98%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 40504-25-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥98% 0 Out of Stock Hong Kong Inquiry
0.25g ≥98% 0 Out of Stock Shanghai Inquiry
1g ≥98% 0 Out of Stock Hong Kong Inquiry
5g ≥98% 0 Out of Stock Shenzhen Inquiry

40504-25-4 / 4-phenylcyclohexan-1-amine;hydrochloride

Standard CAS: 40504-25-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
40504-25-4
Multi CAS
No
Molecular Formula
C12H18CLN
Molecular Weight
211.730000
Exact Mass
211.112777
InChI
InChI=1S/C12H17N.ClH/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;/h1-5,11-12H,6-9,13H2;1H
InChIKey
QVXHKOSLFZUMHB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
62.87
TPSA
26.02

LogP / Solubility

WLOGP
3.09
MLOGP
2.72
XLogP3
3.09
Consensus LogP
2.97
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.53
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.72
Class (SILICOS-IT)
Poorly 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)
-1.82

Drug-likeness / Medicinal Chemistry

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

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