CAS RN: 259860-07-6
1H-Indole-2-carboxylic acid, 6-chloro-7-fluoro-
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250827 | 100mg | In stock | Shanghai, Shenzhen, Tianjin | Inquiry | |
| Batchno.20250120 | 10g | In stock | Shanghai | Inquiry | |
| Batchno.20250428 | 1g | In stock | Shanghai, Chengdu | Inquiry | |
| Batchno.20251207 | 250mg | In stock | Shanghai, Chengdu | Inquiry | |
| Batchno.20250117 | 50mg | In stock | Shanghai, Shenzhen | Inquiry | |
| Batchno.20260407 | 50mg / 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20260509 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS259860-07-6
- Purity/Analytical Methods: >99.0%
259860-07-6 / 6-chloro-7-fluoro-1H-indole-2-carboxylic acid
Basic Information
CAS
259860-07-6
Multi CAS
No
Molecular Formula
C9H5ClFNO2
Molecular Weight
213.590000
Exact Mass
212.999284
SMILES
C1=CC(=C(C2=C1C=C(N2)C(=O)O)F)Cl
InChI
InChI=1S/C9H5ClFNO2/c10-5-2-1-4-3-6(9(13)14)12-8(4)7(5)11/h1-3,12H,(H,13,14)
InChIKey
HRXULQOUYMZDIV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
50.23
TPSA
53.09
LogP / Solubility
WLOGP
2.66
MLOGP
2.34
XLogP3
2.6
Consensus LogP
2.53
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.38
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)
-2.14
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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