![CAS 1250991-93-5 5-Nitro-1,2-Dihydrospiro[Indole-3,4′-Oxane] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1250991-93-5.gif)
CAS RN: 1250991-93-5
5-Nitro-1,2-Dihydrospiro[Indole-3,4′-Oxane]
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.20250419 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1250991-93-5
- Purity/Analytical Methods: >99.0%
1250991-93-5 / 5-nitrospiro[1,2-dihydroindole-3,4'-oxane]
Basic Information
CAS
1250991-93-5
Multi CAS
No
Molecular Formula
C12H14N2O3
Molecular Weight
234.250000
Exact Mass
234.100442
SMILES
C1COCCC12CNC3=C2C=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C12H14N2O3/c15-14(16)9-1-2-11-10(7-9)12(8-13-11)3-5-17-6-4-12/h1-2,7,13H,3-6,8H2
InChIKey
IQXBSWFIQCMYPG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
63.32
TPSA
64.4
LogP / Solubility
WLOGP
2.07
MLOGP
1.82
XLogP3
1.9
Consensus LogP
1.93
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.02
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.68
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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