![CAS 1135-80-4 1’H-Spiro[cyclopentane-1,2′-quinazolin]-4′(3’H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1135-80-4.gif)
CAS RN: 1135-80-4
1’H-Spiro[cyclopentane-1,2′-quinazolin]-4′(3’H)-one
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250429 | 500mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1135-80-4
- Purity/Analytical Methods: >99.0%
1135-80-4 / spiro[1,3-dihydroquinazoline-2,1'-cyclopentane]-4-one
1'H-spiro[cyclopentane-1,2'-quinazolin]-4'(3'H)-one | MFCD00171145 | spiro[1,3-dihydroquinazoline-2,1'-cyclopentane]-4-one
Basic Information
CAS
1135-80-4
Multi CAS
No
Molecular Formula
C12H14N2O
Molecular Weight
202.250000
Exact Mass
202.110613
SMILES
C1CCC2(C1)NC3=CC=CC=C3C(=O)N2
InChI
InChI=1S/C12H14N2O/c15-11-9-5-1-2-6-10(9)13-12(14-11)7-3-4-8-12/h1-2,5-6,13H,3-4,7-8H2,(H,14,15)
InChIKey
BGYVTOPASJGSEB-UHFFFAOYSA-N
Synonyms
1'H-spiro[cyclopentane-1,2'-quinazolin]-4'(3'H)-one
MFCD00171145
spiro[1,3-dihydroquinazoline-2,1'-cyclopentane]-4-one
Spiro[cyclopentane-1,2'(1'H)-quinazolin]-4'(3'H)-one
Spiro[1,2,3-trihydroquinazoline-2,1'-cyclopentane]-4-one
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.42
H-bond acceptors
2
H-bond donors
2
Molar refractivity
58.73
TPSA
41.13
LogP / Solubility
WLOGP
2.11
MLOGP
1.86
XLogP3
2.1
Consensus LogP
2.02
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
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)
-2.45
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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