CAS RN: 63403-08-7
2-(p-tolyloxy)-3-methylbutanoyl 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.20260207 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS63403-08-7
- Purity/Analytical Methods: >99.0%
63403-08-7 / 3-methyl-2-(4-methylphenoxy)butanoyl chloride
Basic Information
CAS
63403-08-7
Multi CAS
No
Molecular Formula
C12H15CLO2
Molecular Weight
226.700000
Exact Mass
226.076057
InChI
InChI=1S/C12H15ClO2/c1-8(2)11(12(13)14)15-10-6-4-9(3)5-7-10/h4-8,11H,1-3H3
InChIKey
UEFHSDRXLCGKST-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
61.29
TPSA
26.3
LogP / Solubility
WLOGP
3.16
MLOGP
2.79
XLogP3
4.2
Consensus LogP
3.38
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.7
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)
-1.86
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
2
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