CAS RN: 183059-24-7
Carbamic acid, (2-hydroxy-2-methylpropyl)-, 1,1-dimethylethyl ester (9CI)
- Product code: SSC-084694
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, 1g, 5g, 10g, 25g, 100g, 0.25g
- Available purity: >97%
- Inventory rows with stock: 7
- 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 | >97% | 5 In Stock | Shanghai | Inquiry |
| 1g | >97% | 5 In Stock | Hong Kong | Inquiry |
| 5g | >97% | 5 In Stock | Beijing | Inquiry |
| 10g | >97% | 5 In Stock | Hong Kong | Inquiry |
| 25g | >97% | 5 In Stock | Shanghai | Inquiry |
| 100g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 0.25g | >97% | 4 In Stock | Beijing | Inquiry |
183059-24-7 / tert-butyl N-(2-hydroxy-2-methylpropyl)carbamate
Basic Information
CAS
183059-24-7
Multi CAS
No
Molecular Formula
C9H19NO3
Molecular Weight
189.250000
Exact Mass
189.136493
SMILES
CC(C)(C)OC(=O)NCC(C)(C)O
InChI
InChI=1S/C9H19NO3/c1-8(2,3)13-7(11)10-6-9(4,5)12/h12H,6H2,1-5H3,(H,10,11)
InChIKey
QBCNEFPGRLUXLR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
50.53
TPSA
58.56
LogP / Solubility
WLOGP
1.28
MLOGP
1.13
XLogP3
0.9
Consensus LogP
1.1
Log S (ESOL)
-1.69
Class (ESOL)
Soluble
Log S (Ali)
-2.04
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
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)
-2.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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