CAS RN: 28751-70-4
5-Chloro-1H-indazole-3-carboxaMide
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.20260216 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS28751-70-4
- Purity/Analytical Methods: >99.0%
28751-70-4 / 5-chloro-1H-indazole-3-carboxamide
Basic Information
CAS
28751-70-4
Multi CAS
No
Molecular Formula
C8H6ClN3O
Molecular Weight
195.600000
Exact Mass
195.019940
SMILES
C1=CC2=C(C=C1Cl)C(=NN2)C(=O)N
InChI
InChI=1S/C8H6ClN3O/c9-4-1-2-6-5(3-4)7(8(10)13)12-11-6/h1-3H,(H2,10,13)(H,11,12)
InChIKey
LDYDVRNVSHVIBN-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
2
Molar refractivity
49.62
TPSA
71.77
LogP / Solubility
WLOGP
1.32
MLOGP
1.16
XLogP3
1.4
Consensus LogP
1.29
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.14
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.98
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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