CAS RN: 93470-26-9
(R)-1-CYCLOHEXYLETHYL ISOCYANATE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260225 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS93470-26-9
- Purity/Analytical Methods: >99.0%
93470-26-9 / 1-isocyanatoethylcyclohexane
Basic Information
CAS
93470-26-9
Multi CAS
Yes
Molecular Formula
C9H15NO
Molecular Weight
153.220000
Exact Mass
153.115364
InChI
InChI=1S/C9H15NO/c1-8(10-7-11)9-5-3-2-4-6-9/h8-9H,2-6H2,1H3
InChIKey
IGSKYRAPJLTXSO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
44.16
TPSA
29.43
LogP / Solubility
WLOGP
2.29
MLOGP
2.01
XLogP3
3.8
Consensus LogP
2.7
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
Class (SILICOS-IT)
Moderately 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)
-2.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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