![CAS 285996-76-1 Cyclohexanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-4-oxo- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/285996-76-1.png)
CAS RN: 285996-76-1
Cyclohexanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-4-oxo- (9CI)
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.20250820 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-130063
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: 0.1g, 0.25g, 1g
- Available purity: ≥95%
- Inventory rows with stock: 3
- 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.
285996-76-1 / 1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxocyclohexane-1-carboxylic acid
Basic Information
CAS
285996-76-1
Multi CAS
Yes
Molecular Formula
C12H19NO5
Molecular Weight
257.280000
Exact Mass
257.126323
InChI
InChI=1S/C12H19NO5/c1-11(2,3)18-10(17)13-12(9(15)16)6-4-8(14)5-7-12/h4-7H2,1-3H3,(H,13,17)(H,15,16)
InChIKey
LFRYGIDGYXKHNS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
63.21
TPSA
92.7
LogP / Solubility
WLOGP
1.48
MLOGP
1.31
XLogP3
0.5
Consensus LogP
1.1
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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