CAS RN: 96624-41-8
(trans,trans)-4-Ethyl-4′-propyl-1,1′-bicyclohexyl
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock1 grade group
- Product code: SSC-212068
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
96624-41-8 / 1-ethyl-4-(4-propylcyclohexyl)cyclohexane
Basic Information
CAS
96624-41-8
Multi CAS
Yes
Molecular Formula
C17H32
Molecular Weight
236.400000
Exact Mass
236.250401
InChI
InChI=1S/C17H32/c1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16/h14-17H,3-13H2,1-2H3
InChIKey
KORMYSCDCHFFMN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
1
Rotatable bonds
4
Molar refractivity
76.1
TPSA
0.0000
LogP / Solubility
WLOGP
5.81
MLOGP
5.12
XLogP3
7.8
Consensus LogP
6.24
Log S (ESOL)
-4.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.5
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-0.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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