CAS RN: 129287-26-9
3-(6-CHLORO-3-PYRIDAZINYL)-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.20260220 | 10g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS129287-26-9
- Purity/Analytical Methods: >99.0%
129287-26-9 / 3-(6-chloropyridazin-3-yl)-1H-indole
Basic Information
CAS
129287-26-9
Multi CAS
No
Molecular Formula
C12H8ClN3
Molecular Weight
229.660000
Exact Mass
229.040675
SMILES
C1=CC=C2C(=C1)C(=CN2)C3=NN=C(C=C3)Cl
InChI
InChI=1S/C12H8ClN3/c13-12-6-5-11(15-16-12)9-7-14-10-4-2-1-3-8(9)10/h1-7,14H
InChIKey
CLXGESVVZOJONY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
64.33
TPSA
41.57
LogP / Solubility
WLOGP
3.28
MLOGP
2.89
XLogP3
2.6
Consensus LogP
2.92
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.99
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)
-1.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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