CAS RN: 889944-76-7
6-CHLORO-4-METHYLPYRIDINE-3-SULFONYL CHLORIDE
- Product code: SSC-200753
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: 0.1g, 0.25g, 1g, 5g, 10g, 25g
- Available purity: ≥97%
- Inventory rows with stock: 2
- 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 |
|---|---|---|---|---|
| 0.1g | ≥97% | 1 In Stock | Hong Kong | Inquiry |
| 0.25g | ≥97% | 1 In Stock | Shenzhen | Inquiry |
| 1g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
| 5g | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
| 10g | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
| 25g | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
889944-76-7 / 6-chloro-4-methylpyridine-3-sulfonyl chloride
Basic Information
CAS
889944-76-7
Multi CAS
No
Molecular Formula
C6H5CL2NO2S
Molecular Weight
226.080000
Exact Mass
224.941805
InChI
InChI=1S/C6H5Cl2NO2S/c1-4-2-6(7)9-3-5(4)12(8,10)11/h2-3H,1H3
InChIKey
BYILBFFYTJJANW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
47.02
TPSA
47.03
LogP / Solubility
WLOGP
1.97
MLOGP
1.74
XLogP3
2.2
Consensus LogP
1.97
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.84
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
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)
-2.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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