CAS RN: 35180-01-9
Chloromethyl Isopropyl Carbonate
Product Availability
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4 package records4 with current stock1 grade group
- Product code: SSC-142023
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: 100g, 500g, 25g
- Available purity: ≥98%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
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35180-01-9 / chloromethyl propan-2-yl carbonate
Basic Information
CAS
35180-01-9
Multi CAS
Yes
Molecular Formula
C5H9CLO3
Molecular Weight
152.570000
Exact Mass
152.024022
InChI
InChI=1S/C5H9ClO3/c1-4(2)9-5(7)8-3-6/h4H,3H2,1-2H3
InChIKey
JHYNXXBAHWPABC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
33.42
TPSA
35.53
LogP / Solubility
WLOGP
1.74
MLOGP
1.53
XLogP3
2
Consensus LogP
1.76
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
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)
-2.41
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
