CAS RN: 25369-35-1
2-Chloro-7-nitro-1H-indole
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.20260209 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS25369-35-1
- Purity/Analytical Methods: >99.0%
25369-35-1 / 2-chloro-7-nitro-1H-indole
Basic Information
CAS
25369-35-1
Multi CAS
No
Molecular Formula
C8H5ClN2O2
Molecular Weight
196.590000
Exact Mass
196.003955
SMILES
C1=CC2=C(C(=C1)[N+](=O)[O-])NC(=C2)Cl
InChI
InChI=1S/C8H5ClN2O2/c9-7-4-5-2-1-3-6(11(12)13)8(5)10-7/h1-4,10H
InChIKey
JYBUPTYYZSEHLA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.96
TPSA
58.93
LogP / Solubility
WLOGP
2.73
MLOGP
2.4
XLogP3
2.8
Consensus LogP
2.64
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
Class (SILICOS-IT)
Poorly 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)
-1.98
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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- CAS RN: 25369-42-0
- Product Code: starshine_CAS25369-42-0
- Purity/Analytical method: >99.0%
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