CAS RN: 885278-30-8
6-CHLORO-1H-INDAZOLE-3-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.20260228 | 250mg / 500mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS885278-30-8
- Purity/Analytical Methods: >99.0%
885278-30-8 / 6-chloro-1H-indazole-3-carbonitrile
Basic Information
CAS
885278-30-8
Multi CAS
Yes
Molecular Formula
C8H4CLN3
Molecular Weight
177.590000
Exact Mass
177.009375
InChI
InChI=1S/C8H4ClN3/c9-5-1-2-6-7(3-5)11-12-8(6)4-10/h1-3H,(H,11,12)
InChIKey
UURANFWTYQPVQY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.82
TPSA
52.47
LogP / Solubility
WLOGP
2.09
MLOGP
1.83
XLogP3
2.2
Consensus LogP
2.04
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
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)
-2.32
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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