![CAS 2241138-06-5 Carbamic acid, N-[(4-amino-2-oxabicyclo[2.1.1]hex-1-yl)methyl]-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2241138-06-5.gif)
CAS RN: 2241138-06-5
Carbamic acid, N-[(4-amino-2-oxabicyclo[2.1.1]hex-1-yl)methyl]-, 1,1-dimethylethyl ester
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.20251009 | 100mg / 500mg | Out of stock | 15 business days | Inquiry |
- Product code: SSC-109204
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: >97%
- Inventory rows with stock: 2
- 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.
2241138-06-5 / tert-butyl N-[(4-amino-2-oxabicyclo[2.1.1]hexan-1-yl)methyl]carbamate
Basic Information
CAS
2241138-06-5
Multi CAS
No
Molecular Formula
C11H20N2O3
Molecular Weight
228.290000
Exact Mass
228.147393
SMILES
CC(C)(C)OC(=O)NCC12CC(C1)(CO2)N
InChI
InChI=1S/C11H20N2O3/c1-9(2,3)16-8(14)13-6-11-4-10(12,5-11)7-15-11/h4-7,12H2,1-3H3,(H,13,14)
InChIKey
OWPCUCUCFLFXJP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
59.07
TPSA
73.58
LogP / Solubility
WLOGP
0.77
MLOGP
0.68
XLogP3
-0.1
Consensus LogP
0.45
Log S (ESOL)
-1.61
Class (ESOL)
Soluble
Log S (Ali)
-1.99
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.02
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)
-3.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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