![CAS 1932478-97-1 (1S,2S,5R)-Methyl 6,6-diMethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB32623471(1).gif)
CAS RN: 1932478-97-1
(1S,2S,5R)-Methyl 6,6-diMethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250425 | 5mg / 10mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1932478-97-1
- Purity/Analytical Methods: >99.0%
1932478-97-1 / methyl (1S,2S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate
Basic Information
CAS
1932478-97-1
Multi CAS
No
Molecular Formula
C9H15NO2
Molecular Weight
169.220000
Exact Mass
169.110279
SMILES
CC1([C@H]2[C@@H]1[C@H](NC2)C(=O)OC)C
InChI
InChI=1S/C9H15NO2/c1-9(2)5-4-10-7(6(5)9)8(11)12-3/h5-7,10H,4H2,1-3H3/t5-,6-,7+/m1/s1
InChIKey
KCIDWDVSBWPHLH-QYNIQEEDSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.89
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.57
TPSA
38.33
LogP / Solubility
WLOGP
0.4
MLOGP
0.35
XLogP3
1
Consensus LogP
0.58
Log S (ESOL)
-1.08
Class (ESOL)
Soluble
Log S (Ali)
-1.24
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.21
Class (SILICOS-IT)
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)
-3.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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