CAS RN: 2168025-77-0
tert-butyl N-(3-hydroxy-1-methylcyclobutyl)carbamate
- Product code: SSC-104167
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
2168025-77-0 / tert-butyl N-(3-hydroxy-1-methylcyclobutyl)carbamate
Basic Information
CAS
2168025-77-0
Multi CAS
No
Molecular Formula
C10H19NO3
Molecular Weight
201.260000
Exact Mass
201.136493
SMILES
CC1(CC(C1)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C10H19NO3/c1-9(2,3)14-8(13)11-10(4)5-7(12)6-10/h7,12H,5-6H2,1-4H3,(H,11,13)
InChIKey
SWADYQXRAYVLDH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
53.02
TPSA
58.56
LogP / Solubility
WLOGP
1.42
MLOGP
1.25
XLogP3
1.1
Consensus LogP
1.26
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.27
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)
-2.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 2168032-82-2 methyl 2-(3-(2-hydroxyethyl)bicyclo[1.1.1]pentan-1-yl)acetate molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
methyl 2-(3-(2-hydroxyethyl)bicyclo[1.1.1]pentan-1-yl)acetate
- CAS RN: 2168032-82-2
- Product Code: SSC-104169
-
methyl 1-fluoro-3-hydroxycyclobutane-1-carboxylate
- CAS RN: 2168082-49-1
- Product Code: SSC-104181
-
tert-butyl n-{3-methylidenebicyclo[3.2.1]octan-8-ylcarbamate
- CAS RN: 2168116-64-9
- Product Code: SSC-104187
-
6-Azaspiro[3.4]octane-6,7-dicarboxylic acid, 6-(1,1-dimethylethyl) ester
- CAS RN: 2168160-42-5
- Product Code: SSC-104192
-
-
3-(Chloromethyl)-1,3-dimethyl-2-azetidinone
- CAS RN: 2168391-80-6
- Product Code: SSC-104220
![CAS 2168032-82-2 methyl 2-(3-(2-hydroxyethyl)bicyclo[1.1.1]pentan-1-yl)acetate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2168032-82-2.png)
![CAS 2168116-64-9 tert-butyl n-{3-methylidenebicyclo[3.2.1]octan-8-ylcarbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2168116-64-9.png)
![CAS 2168160-42-5 6-Azaspiro[3.4]octane-6,7-dicarboxylic acid, 6-(1,1-dimethylethyl) ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2168160-42-5.png)
![CAS 2168235-11-6 {2-oxabicyclo[2.2.2]octan-4-yl}methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2168235-11-6.gif)
