![CAS 1050886-56-0 4-[(TERT-BUTOXYCARBONYL)AMINO]BICYCLO[2.1.1]HEXANE-1-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1050886-56-0.gif)
CAS RN: 1050886-56-0
4-[(TERT-BUTOXYCARBONYL)AMINO]BICYCLO[2.1.1]HEXANE-1-CARBOXYLIC ACID
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250628 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-006844
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: 0.05g, 0.1g, 0.25g, 1g
- Available purity: >97%
- Inventory rows with stock: 4
- 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.
1050886-56-0 / 4-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[2.1.1]hexane-1-carboxylic acid
4-((tert-butoxycarbonyl)amino)bicyclo[2.1.1]hexane-1-carboxylic acid | 4-[(tert-butoxycarbonyl)amino]bicyclo[2.1.1]hexane-1-carboxylic acid | 4-((tert-butoxycarbonyl)amino)bicyclo(2.1.1)hexane-1-carboxylic acid
Basic Information
CAS
1050886-56-0
Multi CAS
No
Molecular Formula
C12H19NO4
Molecular Weight
241.280000
Exact Mass
241.131408
SMILES
CC(C)(C)OC(=O)NC12CCC(C1)(C2)C(=O)O
InChI
InChI=1S/C12H19NO4/c1-10(2,3)17-9(16)13-12-5-4-11(6-12,7-12)8(14)15/h4-7H2,1-3H3,(H,13,16)(H,14,15)
InChIKey
OLKBFKZGMNENLF-UHFFFAOYSA-N
Synonyms
4-((tert-butoxycarbonyl)amino)bicyclo[2.1.1]hexane-1-carboxylic acid
4-[(tert-butoxycarbonyl)amino]bicyclo[2.1.1]hexane-1-carboxylic acid
4-((tert-butoxycarbonyl)amino)bicyclo(2.1.1)hexane-1-carboxylic acid
RefChem:509967
828-382-1
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
60.64
TPSA
75.63
LogP / Solubility
WLOGP
1.91
MLOGP
1.68
XLogP3
1.1
Consensus LogP
1.56
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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