![CAS 950-31-2 1H-SPIRO[CYCLOHEXANE-1,2-QUINAZOLIN]-4(3H)-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/950-31-2.gif)
CAS RN: 950-31-2
1H-SPIRO[CYCLOHEXANE-1,2-QUINAZOLIN]-4(3H)-ONE
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.20260615 | 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS950-31-2
- Purity/Analytical Methods: >99.0%
950-31-2 / spiro[1,3-dihydroquinazoline-2,1'-cyclohexane]-4-one
Basic Information
CAS
950-31-2
Multi CAS
No
Molecular Formula
C13H16N2O
Molecular Weight
216.280000
Exact Mass
216.126263
InChI
InChI=1S/C13H16N2O/c16-12-10-6-2-3-7-11(10)14-13(15-12)8-4-1-5-9-13/h2-3,6-7,14H,1,4-5,8-9H2,(H,15,16)
InChIKey
LUDINISIACCKKZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.46
H-bond acceptors
2
H-bond donors
2
Molar refractivity
63.35
TPSA
41.13
LogP / Solubility
WLOGP
2.5
MLOGP
2.2
XLogP3
2.7
Consensus LogP
2.47
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.14
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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