![CAS 1272756-10-1 6-Nitrospiro[1,2,3,4-tetrahydroquinazoline-2,1′-cyclobutane]-4-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1272756-10-1.gif)
CAS RN: 1272756-10-1
6-Nitrospiro[1,2,3,4-tetrahydroquinazoline-2,1′-cyclobutane]-4-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.20250521 | 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-034795
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, 0.25g, 1g, 5g
- Available purity: ≥95%
- Inventory rows with stock: 4
- 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.
1272756-10-1 / 6-nitrospiro[1,3-dihydroquinazoline-2,1'-cyclobutane]-4-one
Basic Information
CAS
1272756-10-1
Multi CAS
No
Molecular Formula
C11H11N3O3
Molecular Weight
233.220000
Exact Mass
233.080041
SMILES
C1CC2(C1)NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2
InChI
InChI=1S/C11H11N3O3/c15-10-8-6-7(14(16)17)2-3-9(8)12-11(13-10)4-1-5-11/h2-3,6,12H,1,4-5H2,(H,13,15)
InChIKey
PGSURDWUMJXDOU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
60.77
TPSA
84.27
LogP / Solubility
WLOGP
1.63
MLOGP
1.44
XLogP3
1.6
Consensus LogP
1.56
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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![CAS 1272756-13-4 6-BroMospiro[1,2,3,4-tetrahydroquinazoline-2,1′-cyclobutane]-4-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1272756-13-4.gif)
![CAS 1272756-14-5 4-Oxospiro[1,2,3,4-tetrahydroquinazoline-2,1′-cyclopentane]-5-carboxylic Acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1272756-14-5.gif)
![CAS 1272756-15-6 Ethyl 4-Oxospiro[1,2,3,4-tetrahydroquinazoline-2,1′-cyclobutane]-5-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1272756-15-6.gif)
![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)