![CAS 1272756-16-7 4-Oxospiro[1,2,3,4-tetrahydroquinazoline-2,1′-cyclopentane]-5-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1272756-16-7.gif)
CAS RN: 1272756-16-7
4-Oxospiro[1,2,3,4-tetrahydroquinazoline-2,1′-cyclopentane]-5-carbonitrile
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.20260311 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-034801
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 1g, 0.25g
- Available purity: >95%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1272756-16-7 / 4-oxospiro[1,3-dihydroquinazoline-2,1'-cyclopentane]-5-carbonitrile
Basic Information
CAS
1272756-16-7
Multi CAS
No
Molecular Formula
C13H13N3O
Molecular Weight
227.260000
Exact Mass
227.105862
SMILES
C1CCC2(C1)NC3=CC=CC(=C3C(=O)N2)C#N
InChI
InChI=1S/C13H13N3O/c14-8-9-4-3-5-10-11(9)12(17)16-13(15-10)6-1-2-7-13/h3-5,15H,1-2,6-7H2,(H,16,17)
InChIKey
IROLGSVICKCBJQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.38
H-bond acceptors
3
H-bond donors
2
Molar refractivity
63.44
TPSA
64.92
LogP / Solubility
WLOGP
1.98
MLOGP
1.75
XLogP3
1.9
Consensus LogP
1.88
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.78
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)
-2.7
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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