CAS RN: 1373223-64-3
7-Chloro-5-fluoro-1H-indazole
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
| Batchno.20260610 |
100mg / 250mg / 1g |
Out of stock |
8-10 business days | Inquiry |
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Product code:
starshine_CAS1373223-64-3
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Purity/Analytical Methods:
>99.0%
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1373223-64-3 / 7-chloro-5-fluoro-1H-indazole
Standard CAS: 1373223-64-3
Multi CAS: No
Basic Information
CAS
1373223-64-3
Multi CAS
No
Molecular Formula
C7H4ClFN2
Molecular Weight
170.570000
Exact Mass
170.004704
SMILES
C1=C(C=C(C2=C1C=NN2)Cl)F
InChI
InChI=1S/C7H4ClFN2/c8-6-2-5(9)1-4-3-10-11-7(4)6/h1-3H,(H,10,11)
InChIKey
YNXAOQWUATYAAD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
41.06
TPSA
28.68
LogP / Solubility
WLOGP
2.36
MLOGP
2.07
XLogP3
2.7
Consensus LogP
2.38
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
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)
-2.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5