Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 10g, 25g, 0.1g, 0.25g, 5g
- Available purity: >97%
- Inventory rows with stock: 6
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >97% | 5 In Stock | Shanghai | Inquiry |
| 10g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 25g | >97% | 3 In Stock | Beijing | Inquiry |
| 0.1g | >97% | 2 In Stock | Shenzhen | Inquiry |
| 0.25g | >97% | 2 In Stock | Shenzhen | Inquiry |
| 5g | >97% | 2 In Stock | Shenzhen | Inquiry |
884494-57-9 / 5-chloro-2-fluoropyridine-3-carboxylic acid
Basic Information
CAS
884494-57-9
Multi CAS
Yes
Molecular Formula
C6H3CLFNO2
Molecular Weight
175.540000
Exact Mass
174.983634
InChI
InChI=1S/C6H3ClFNO2/c7-3-1-4(6(10)11)5(8)9-2-3/h1-2H,(H,10,11)
InChIKey
TYSZXBYTBZUZQB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
36.16
TPSA
50.19
LogP / Solubility
WLOGP
1.57
MLOGP
1.38
XLogP3
1.4
Consensus LogP
1.45
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.23
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)
-2.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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4-AMINOINDOLE-6-CARBOXYLIC ACID
- CAS RN: 884494-67-1
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- Purity/Analytical method: >99.0%
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