CAS RN: 360067-61-4
1,3-Dicyclohexyl-4,5-dihydro-1H-imidazol-3-ium chloride
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-143111
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 | Shenzhen | Inquiry |
360067-61-4 / 1,3-dicyclohexylimidazolidin-1-ium chloride
Basic Information
CAS
360067-61-4
Multi CAS
Yes
Molecular Formula
C15H29CLN2
Molecular Weight
272.860000
Exact Mass
272.201927
InChI
InChI=1S/C15H28N2.ClH/c1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15;/h14-15H,1-13H2;1H
InChIKey
NCJDDKWHXVXKIQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
71.15
TPSA
7.68
LogP / Solubility
WLOGP
-1.19
MLOGP
-1.04
XLogP3
-1.19
Consensus LogP
-1.14
Log S (ESOL)
-0.65
Class (ESOL)
Very soluble
Log S (Ali)
-0.94
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.69
Class (SILICOS-IT)
Very soluble
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)
-5.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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