![CAS 197142-33-9 tert-butyl (3S)-3-(hydroxymethyl)-2-azabicyclo[3.1.0]hexane-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/197142-33-9.gif)
CAS RN: 197142-33-9
tert-butyl (3S)-3-(hydroxymethyl)-2-azabicyclo[3.1.0]hexane-2-carboxylate
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.20260207 | 25mg / 50mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS197142-33-9
- Purity/Analytical Methods: >99.0%
197142-33-9 / tert-butyl (1R,3S,5R)-3-(hydroxymethyl)-2-azabicyclo[3.1.0]hexane-2-carboxylate
Basic Information
CAS
197142-33-9
Multi CAS
No
Molecular Formula
C11H19NO3
Molecular Weight
213.270000
Exact Mass
213.136493
SMILES
CC(C)(C)OC(=O)N1[C@@H](C[C@@H]2[C@H]1C2)CO
InChI
InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-8(6-13)4-7-5-9(7)12/h7-9,13H,4-6H2,1-3H3/t7-,8-,9+/m0/s1
InChIKey
DBOGUJDUACLSTB-XHNCKOQMSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.91
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.46
TPSA
49.77
LogP / Solubility
WLOGP
1.38
MLOGP
1.21
XLogP3
1.1
Consensus LogP
1.23
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.31
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)
-3.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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![CAS 197142-36-2 (1S,3S,5S)-2-(TERT-BUTOXYCARBONYL)-2-AZABICYCLO[3.1.0]HEXANE-3-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2825254.gif)
