CAS RN: 811440-77-4
1-isopropylcyclohexyl Methacrylate
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-189689
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 | Beijing | Inquiry |
811440-77-4 / (1-propan-2-ylcyclohexyl) 2-methylprop-2-enoate
Basic Information
CAS
811440-77-4
Multi CAS
No
Molecular Formula
C13H22O2
Molecular Weight
210.310000
Exact Mass
210.161980
InChI
InChI=1S/C13H22O2/c1-10(2)12(14)15-13(11(3)4)8-6-5-7-9-13/h11H,1,5-9H2,2-4H3
InChIKey
KDSLFWBFCGYUIQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.77
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
61.56
TPSA
26.3
LogP / Solubility
WLOGP
3.46
MLOGP
3.05
XLogP3
4
Consensus LogP
3.5
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.79
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.26
Class (SILICOS-IT)
Slightly 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)
-1.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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