CAS RN: 1264481-38-0
7-Chloro-1H-indole-2-carbonitrile
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.20250821 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1264481-38-0
- Purity/Analytical Methods: >99.0%
1264481-38-0 / 7-chloro-1H-indole-2-carbonitrile
Basic Information
CAS
1264481-38-0
Multi CAS
No
Molecular Formula
C9H5ClN2
Molecular Weight
176.600000
Exact Mass
176.014126
SMILES
C1=CC2=C(C(=C1)Cl)NC(=C2)C#N
InChI
InChI=1S/C9H5ClN2/c10-8-3-1-2-6-4-7(5-11)12-9(6)8/h1-4,12H
InChIKey
VYNDPHOTSBJMAZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.02
TPSA
39.58
LogP / Solubility
WLOGP
2.69
MLOGP
2.37
XLogP3
2.7
Consensus LogP
2.59
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.04
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)
-1.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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