CAS RN: 5542-60-9
2-(4-CHLOROPHENOXY)-2-METHYLPROPANOYL CHLORIDE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250308 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS5542-60-9
- Purity/Analytical Methods: >99.0%
5542-60-9 / 2-(4-chlorophenoxy)-2-methylpropanoyl chloride
Basic Information
CAS
5542-60-9
Multi CAS
No
Molecular Formula
C10H10CL2O2
Molecular Weight
233.090000
Exact Mass
232.005785
InChI
InChI=1S/C10H10Cl2O2/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3
InChIKey
OODRWLGKUBMFLZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
57.02
TPSA
26.3
LogP / Solubility
WLOGP
3.26
MLOGP
2.88
XLogP3
3.6
Consensus LogP
3.25
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.83
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.24
Class (SILICOS-IT)
Slightly 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)
-1.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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