CAS RN: 2361926-29-4
(1R,2R)-ethyl 2-(tert-butoxycarbonyl)cyclohexanecarboxylate
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.20250807 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2361926-29-4
- Purity/Analytical Methods: >99.0%
2361926-29-4 / ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
Basic Information
CAS
2361926-29-4
Multi CAS
No
Molecular Formula
C14H25NO4
Molecular Weight
271.350000
Exact Mass
271.178358
SMILES
CCOC(=O)C1CCCCC1NC(=O)OC(C)(C)C
InChI
InChI=1S/C14H25NO4/c1-5-18-12(16)10-8-6-7-9-11(10)15-13(17)19-14(2,3)4/h10-11H,5-9H2,1-4H3,(H,15,17)
InChIKey
AULQPQMOKYESIY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.86
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
71.75
TPSA
64.63
LogP / Solubility
WLOGP
2.63
MLOGP
2.33
XLogP3
3.2
Consensus LogP
2.72
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.97
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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