![CAS 1931961-71-5 (1S,5S)-3-(tert-butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB63167184.gif)
CAS RN: 1931961-71-5
(1S,5S)-3-(tert-butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid
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.20250301 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: SSC-090323
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
- 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.
1931961-71-5 / (1S,5S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid
Basic Information
CAS
1931961-71-5
Multi CAS
No
Molecular Formula
C11H17NO4
Molecular Weight
227.260000
Exact Mass
227.115758
SMILES
CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(C1)C(=O)O
InChI
InChI=1S/C11H17NO4/c1-10(2,3)16-9(15)12-5-7-4-11(7,6-12)8(13)14/h7H,4-6H2,1-3H3,(H,13,14)/t7-,11-/m1/s1
InChIKey
OUTDFRNFTVGFRQ-RDDDGLTNSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.82
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.98
TPSA
66.84
LogP / Solubility
WLOGP
1.33
MLOGP
1.17
XLogP3
0.6
Consensus LogP
1.03
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
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)
-3.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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![CAS 1931962-94-5 Carbamic acid, N-(1S,4S,7S)-2-azabicyclo[2.2.1]hept-7-yl-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1931962-94-5.gif)
![CAS 1931994-81-8 2-Pyridinecarboxamide, N-[6-(1-hydroxy-1-methylethyl)-2-[2-(methylsulfonyl)ethyl]-2H-indazol-5-yl]-6-(trifluoromethyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1931994-81-8.gif)
![CAS 1932009-15-8 tert-butyl (1S,4R)-2-azabicyclo[2.2.1]heptane-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1932009-15-8.gif)