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, 5g, 10g, 0.1g, 0.25g, 25g
- Available purity: >95%
- Inventory rows with stock: 5
- 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 | >95% | 3 In Stock | Beijing | Inquiry |
| 5g | >95% | 3 In Stock | Hong Kong | Inquiry |
| 10g | >95% | 3 In Stock | Beijing | Inquiry |
| 0.1g | >95% | 2 In Stock | Shenzhen | Inquiry |
| 0.25g | >95% | 2 In Stock | Hong Kong | Inquiry |
| 25g | >95% | 0 Out of Stock | Shenzhen | Inquiry |
51708-72-6 / 4-chloro-2-methylbutanoyl chloride
Basic Information
CAS
51708-72-6
Multi CAS
No
Molecular Formula
C5H8CL2O
Molecular Weight
155.020000
Exact Mass
153.995220
InChI
InChI=1S/C5H8Cl2O/c1-4(2-3-6)5(7)8/h4H,2-3H2,1H3
InChIKey
LJXFUBMDMUVZKA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
35.36
TPSA
17.07
LogP / Solubility
WLOGP
2.02
MLOGP
1.77
XLogP3
2.2
Consensus LogP
2
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
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)
-2.23
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
2
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