CAS RN: 753-89-9
1-Chloro-2,2-dimethylpropane
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-184762
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 10ml
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 10ml | ＞97% | 0 Out of Stock | Beijing | Inquiry |
753-89-9 / 1-chloro-2,2-dimethylpropane
Basic Information
CAS
753-89-9
Multi CAS
No
Molecular Formula
C5H11CL
Molecular Weight
106.590000
Exact Mass
106.054928
InChI
InChI=1S/C5H11Cl/c1-5(2,3)4-6/h4H2,1-3H3
InChIKey
JEKYMVBQWWZVHO-UHFFFAOYSA-N
Physical Properties
Physical Description
Colorless liquid with a sweet odor
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
1
Molar refractivity
30.17
TPSA
0.0000
LogP / Solubility
WLOGP
2.27
MLOGP
1.99
XLogP3
2.5
Consensus LogP
2.25
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.24
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)
-1.76
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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