Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 5g, 1g, 0.25g, 10g
- Available purity: ≥95%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
4501-37-5 / 1-cyclohexyl-2-ethylbenzene
Basic Information
CAS
4501-37-5
Multi CAS
No
Molecular Formula
C14H20
Molecular Weight
188.310000
Exact Mass
188.156501
InChI
InChI=1S/C14H20/c1-2-12-8-6-7-11-14(12)13-9-4-3-5-10-13/h6-8,11,13H,2-5,9-10H2,1H3
InChIKey
GEPBEZWRRNVONZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
2
Molar refractivity
61.65
TPSA
0.0000
LogP / Solubility
WLOGP
4.3
MLOGP
3.78
XLogP3
5.3
Consensus LogP
4.46
Log S (ESOL)
-3.9
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.69
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)
-0.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
