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: >98%
- 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 | >98% | 3 In Stock | Shenzhen | Inquiry |
| 10g | >98% | 3 In Stock | Shanghai | Inquiry |
| 25g | >98% | 2 In Stock | Hong Kong | Inquiry |
| 0.1g | >98% | 1 In Stock | Hong Kong | Inquiry |
| 0.25g | >98% | 1 In Stock | Beijing | Inquiry |
| 5g | >98% | 1 In Stock | Shanghai | Inquiry |
20412-39-9 / 2-methylbutyl carbonochloridate
Basic Information
CAS
20412-39-9
Multi CAS
No
Molecular Formula
C6H11ClO2
Molecular Weight
150.600000
Exact Mass
150.044757
SMILES
CCC(C)COC(=O)Cl
InChI
InChI=1S/C6H11ClO2/c1-3-5(2)4-9-6(7)8/h5H,3-4H2,1-2H3
InChIKey
MQNLOOJFAVAAKD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.83
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
36.66
TPSA
26.3
LogP / Solubility
WLOGP
2.41
MLOGP
2.11
XLogP3
2.9
Consensus LogP
2.47
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
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)
-1.93
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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