![CAS 1250443-61-8 2-benzhydryl-2,6-diazaspiro[3.4]octane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1250443-61-8.gif)
CAS RN: 1250443-61-8
2-benzhydryl-2,6-diazaspiro[3.4]octane
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.20260405 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1250443-61-8
- Purity/Analytical Methods: >99.0%
1250443-61-8 / 2-benzhydryl-2,7-diazaspiro[3.4]octane
Basic Information
CAS
1250443-61-8
Multi CAS
No
Molecular Formula
C19H22N2
Molecular Weight
278.400000
Exact Mass
278.178299
SMILES
C1CNCC12CN(C2)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C19H22N2/c1-3-7-16(8-4-1)18(17-9-5-2-6-10-17)21-14-19(15-21)11-12-20-13-19/h1-10,18,20H,11-15H2
InChIKey
SYMQBAASXLKRNK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
86.22
TPSA
15.27
LogP / Solubility
WLOGP
3.07
MLOGP
2.71
XLogP3
3
Consensus LogP
2.93
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.38
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4
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