![CAS 1007455-36-8 5′-hydroxy-Spiro[cyclopropane-1,1′-[1H]isoindol]-3′(2’H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1007455-36-8.gif)
CAS RN: 1007455-36-8
5′-hydroxy-Spiro[cyclopropane-1,1′-[1H]isoindol]-3′(2’H)-one
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260105 | 1g / 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1007455-36-8
- Purity/Analytical Methods: >99.0%
1007455-36-8 / 6-hydroxyspiro[2H-isoindole-3,1'-cyclopropane]-1-one
5'-HYDROXYSPIRO[CYCLOPROPANE-1,1'-ISOINDOLIN]-3'-ONE | 6-hydroxyspiro[2H-isoindole-3,1'-cyclopropane]-1-one | MFCD18651792
Basic Information
CAS
1007455-36-8
Multi CAS
No
Molecular Formula
C10H9NO2
Molecular Weight
175.180000
Exact Mass
175.063329
SMILES
C1CC12C3=C(C=C(C=C3)O)C(=O)N2
InChI
InChI=1S/C10H9NO2/c12-6-1-2-8-7(5-6)9(13)11-10(8)3-4-10/h1-2,5,12H,3-4H2,(H,11,13)
InChIKey
KHZYNQKGFDFZOY-UHFFFAOYSA-N
Synonyms
5'-HYDROXYSPIRO[CYCLOPROPANE-1,1'-ISOINDOLIN]-3'-ONE
6-hydroxyspiro[2H-isoindole-3,1'-cyclopropane]-1-one
MFCD18651792
5'-hydroxy-2',3'-dihydrospiro[cyclopropane-1,1'-isoindole]-3'-one
5'-HYDROXY-SPIRO[CYCLOPROPANE-1,1'-[1H]ISOINDOL]-3'(2'H)-ONE
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
46.49
TPSA
49.33
LogP / Solubility
WLOGP
1.12
MLOGP
0.99
XLogP3
0.8
Consensus LogP
0.97
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.73
Class (SILICOS-IT)
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)
-2.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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