![CAS 1349875-74-6 1-{2,6-diazaspiro[3.3]heptan-2-yl}ethan-1-one hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1349875-74-6.gif)
CAS RN: 1349875-74-6
1-{2,6-diazaspiro[3.3]heptan-2-yl}ethan-1-one hydrochloride
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260317 | 250mg | Out of stock | Inquiry |
- Product code: starshine_CAS1349875-74-6
- Purity/Analytical Methods: >99.0%
1349875-74-6 / 1-(2,6-diazaspiro[3.3]heptan-2-yl)ethanone;hydrochloride
Basic Information
CAS
1349875-74-6
Multi CAS
No
Molecular Formula
C7H13ClN2O
Molecular Weight
176.640000
Exact Mass
176.071641
SMILES
CC(=O)N1CC2(C1)CNC2.Cl
InChI
InChI=1S/C7H12N2O.ClH/c1-6(10)9-4-7(5-9)2-8-3-7;/h8H,2-5H2,1H3;1H
InChIKey
GJNOYXKVZSMTBK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.86
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.8
TPSA
32.34
LogP / Solubility
WLOGP
-0.14
MLOGP
-0.13
XLogP3
-0.14
Consensus LogP
-0.14
Log S (ESOL)
-0.85
Class (ESOL)
Very soluble
Log S (Ali)
-0.91
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.69
Class (SILICOS-IT)
Very 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)
-3.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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- Product Code: starshine_CAS1350352-70-3
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