![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 RN: 1272756-15-6
Ethyl 4-Oxospiro[1,2,3,4-tetrahydroquinazoline-2,1′-cyclobutane]-5-carboxylate
- Product code: SSC-034800
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1272756-15-6 / ethyl 4-oxospiro[1,3-dihydroquinazoline-2,1'-cyclobutane]-5-carboxylate
Basic Information
CAS
1272756-15-6
Multi CAS
No
Molecular Formula
C14H16N2O3
Molecular Weight
260.290000
Exact Mass
260.116092
SMILES
CCOC(=O)C1=C2C(=CC=C1)NC3(CCC3)NC2=O
InChI
InChI=1S/C14H16N2O3/c1-2-19-13(18)9-5-3-6-10-11(9)12(17)16-14(15-10)7-4-8-14/h3,5-6,15H,2,4,7-8H2,1H3,(H,16,17)
InChIKey
AGNWPRPDVABSRM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
70.07
TPSA
67.43
LogP / Solubility
WLOGP
1.9
MLOGP
1.68
XLogP3
2
Consensus LogP
1.86
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.17
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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