CAS RN: 14191-22-1
2-Nitrocarbazole
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.20260115 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS14191-22-1
- Purity/Analytical Methods: >99.0%
14191-22-1 / 2-nitro-9H-carbazole
Basic Information
CAS
14191-22-1
Multi CAS
No
Molecular Formula
C12H8N2O2
Molecular Weight
212.200000
Exact Mass
212.058578
SMILES
C1=CC=C2C(=C1)C3=C(N2)C=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C12H8N2O2/c15-14(16)8-5-6-10-9-3-1-2-4-11(9)13-12(10)7-8/h1-7,13H
InChIKey
RSSFRJAJZYDBDI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
13
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
62.46
TPSA
58.93
LogP / Solubility
WLOGP
3.23
MLOGP
2.84
XLogP3
3.7
Consensus LogP
3.26
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.84
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.72
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
1.5
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