![CAS 1333384-43-2 tert-butyl 4-(hydroxyMethyl)bicyclo[2.2.2]octan-1-ylcarbaMate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1333384-43-2.gif)
CAS RN: 1333384-43-2
tert-butyl 4-(hydroxyMethyl)bicyclo[2.2.2]octan-1-ylcarbaMate
- Product code: SSC-040031
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, 10g
- Available purity: >97%
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | >97% | 1 In Stock | Shenzhen | Inquiry |
| 0.25g | >97% | 1 In Stock | Beijing | Inquiry |
| 1g | >97% | 1 In Stock | Beijing | Inquiry |
| 5g | >97% | 0 Out of Stock | Hong Kong | Inquiry |
| 10g | >97% | 0 Out of Stock | Hong Kong | Inquiry |
1333384-43-2 / tert-butyl N-[4-(hydroxymethyl)-1-bicyclo[2.2.2]octanyl]carbamate
Basic Information
CAS
1333384-43-2
Multi CAS
No
Molecular Formula
C14H25NO3
Molecular Weight
255.350000
Exact Mass
255.183444
SMILES
CC(C)(C)OC(=O)NC12CCC(CC1)(CC2)CO
InChI
InChI=1S/C14H25NO3/c1-12(2,3)18-11(17)15-14-7-4-13(10-16,5-8-14)6-9-14/h16H,4-10H2,1-3H3,(H,15,17)
InChIKey
ULLNOMXSFKLMOU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.93
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
69.32
TPSA
58.56
LogP / Solubility
WLOGP
2.6
MLOGP
2.29
XLogP3
1.9
Consensus LogP
2.26
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.53
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.71
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)
-2.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
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