![CAS 1956437-30-1 tert-butyl (S)-6-(trifluoromethyl)-2,7-diazaspiro[3.5]nonane-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1956437-30-1.gif)
CAS RN: 1956437-30-1
tert-butyl (S)-6-(trifluoromethyl)-2,7-diazaspiro[3.5]nonane-2-carboxylate
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260508 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1956437-30-1
- Purity/Analytical Methods: >99.0%
1956437-30-1 / tert-butyl (6S)-6-(trifluoromethyl)-2,7-diazaspiro[3.5]nonane-2-carboxylate
Basic Information
CAS
1956437-30-1
Multi CAS
No
Molecular Formula
C13H21F3N2O2
Molecular Weight
294.310000
Exact Mass
294.155512
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CCN[C@@H](C2)C(F)(F)F
InChI
InChI=1S/C13H21F3N2O2/c1-11(2,3)20-10(19)18-7-12(8-18)4-5-17-9(6-12)13(14,15)16/h9,17H,4-8H2,1-3H3/t9-/m0/s1
InChIKey
CNHFNGYCGGNRPX-VIFPVBQESA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
67.32
TPSA
41.57
LogP / Solubility
WLOGP
2.54
MLOGP
2.24
XLogP3
2.2
Consensus LogP
2.33
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.68
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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