CAS RN: 40635-66-3
2-Acetoxyisobutyryl Chloride
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-148926
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: 25g, 100g
- 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.
40635-66-3 / (1-chloro-2-methyl-1-oxopropan-2-yl) acetate
Basic Information
CAS
40635-66-3
Multi CAS
Yes
Molecular Formula
C6H9CLO3
Molecular Weight
164.590000
Exact Mass
164.024022
InChI
InChI=1S/C6H9ClO3/c1-4(8)10-6(2,3)5(7)9/h1-3H3
InChIKey
RBTCRFLJLUNCLL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
36.71
TPSA
43.37
LogP / Solubility
WLOGP
1.09
MLOGP
0.96
XLogP3
1.3
Consensus LogP
1.12
Log S (ESOL)
-1.42
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.88
Class (SILICOS-IT)
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)
-2.95
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
