![CAS 1260832-77-6 3,9-Diazaspiro[5.5]undecane, 3-ethyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1260832-77-6.gif)
CAS RN: 1260832-77-6
3,9-Diazaspiro[5.5]undecane, 3-ethyl-
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: starshine_CAS1260832-77-6
- Purity/Analytical Methods: >99.0%
1260832-77-6 / 3-ethyl-3,9-diazaspiro[5.5]undecane
Basic Information
CAS
1260832-77-6
Multi CAS
No
Molecular Formula
C11H22N2
Molecular Weight
182.310000
Exact Mass
182.178299
SMILES
CCN1CCC2(CCNCC2)CC1
InChI
InChI=1S/C11H22N2/c1-2-13-9-5-11(6-10-13)3-7-12-8-4-11/h12H,2-10H2,1H3
InChIKey
VTWICTPZWUSYPB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
55.88
TPSA
15.27
LogP / Solubility
WLOGP
1.47
MLOGP
1.29
XLogP3
1.3
Consensus LogP
1.35
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
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)
-2.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
-
-
-
O-(2-tert-Butoxy-ethyl)-hydroxylamine hydrochloride
- CAS RN: 1260836-58-5
- Product Code: starshine_CAS1260836-58-5
- Purity/Analytical method: >99.0%
-
-
ETHYL 6-BROMO-[1,2,4]TRIAZOLO[4,3-A]PYRIDINE-3-CARBOXYLATE
- CAS RN: 1260840-42-3
- Product Code: SSC-032206
![CAS 1260840-42-3 ETHYL 6-BROMO-[1,2,4]TRIAZOLO[4,3-A]PYRIDINE-3-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1260840-42-3.gif)