![CAS 1422443-57-9 Tert-Butyl((1S,3S)-3-hydroxycyclohexyl)carbaMate CarbaMic acid,N-[(1S,3S)-3-hydroxycyclohexyl]-1,1-diMethyethyester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1422443-57-9(2).gif)
CAS RN: 1422443-57-9
Tert-Butyl((1S,3S)-3-hydroxycyclohexyl)carbaMate CarbaMic acid,N-[(1S,3S)-3-hydroxycyclohexyl]-1,1-diMethyethyester
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.20250605 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-053021
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, 5g
- Available purity: >95%
- Inventory rows with stock: 6
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | -- | 1 In Stock | Shenzhen | Inquiry |
| 0.1g | >95% | 1 In Stock | Beijing | Inquiry |
| 0.25g | -- | 1 In Stock | Hong Kong | Inquiry |
| 0.25g | >95% | 1 In Stock | Beijing | Inquiry |
| 1g | -- | 1 In Stock | Shenzhen | Inquiry |
| 1g | >95% | 1 In Stock | Hong Kong | Inquiry |
| 5g | -- | 0 Out of Stock | Shenzhen | Inquiry |
| 5g | >95% | 0 Out of Stock | Beijing | Inquiry |
1422443-57-9 / tert-butyl N-[(1S,3S)-3-hydroxycyclohexyl]carbamate
Basic Information
CAS
1422443-57-9
Multi CAS
No
Molecular Formula
C11H21NO3
Molecular Weight
215.290000
Exact Mass
215.152144
SMILES
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C1)O
InChI
InChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-8-5-4-6-9(13)7-8/h8-9,13H,4-7H2,1-3H3,(H,12,14)/t8-,9-/m0/s1
InChIKey
IUKYKMHCKDLTJC-IUCAKERBSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.91
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
57.63
TPSA
58.56
LogP / Solubility
WLOGP
1.81
MLOGP
1.6
XLogP3
1.6
Consensus LogP
1.67
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
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)
-2.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264, P270, P273, P301+P317, P330, P391, and P501
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