CAS RN: 130506-22-8
6-NITROSO-1,2-BENZOPYRONE
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.20250611 | 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS130506-22-8
- Purity/Analytical Methods: >99.0%
130506-22-8 / 6-nitrosochromen-2-one
Basic Information
CAS
130506-22-8
Multi CAS
No
Molecular Formula
C9H5NO3
Molecular Weight
175.140000
Exact Mass
175.026943
SMILES
C1=CC2=C(C=CC(=O)O2)C=C1N=O
InChI
InChI=1S/C9H5NO3/c11-9-4-1-6-5-7(10-12)2-3-8(6)13-9/h1-5H
InChIKey
HXTDAUGEZTYMGP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
47.94
TPSA
59.64
LogP / Solubility
WLOGP
2.19
MLOGP
1.93
XLogP3
0.8
Consensus LogP
1.64
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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