CAS RN: 57430-24-7
M-CHLOROPROPYLBENZENE
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.20260511 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS57430-24-7
- Purity/Analytical Methods: >99.0%
57430-24-7 / 1-chloro-3-propylbenzene
Basic Information
CAS
57430-24-7
Multi CAS
No
Molecular Formula
C9H11CL
Molecular Weight
154.630000
Exact Mass
154.054928
InChI
InChI=1S/C9H11Cl/c1-2-4-8-5-3-6-9(10)7-8/h3,5-7H,2,4H2,1H3
InChIKey
AVBDQUQDFWSKSV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
Molar refractivity
45.45
TPSA
0.0000
LogP / Solubility
WLOGP
3.29
MLOGP
2.89
XLogP3
4.3
Consensus LogP
3.49
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.64
Class (SILICOS-IT)
Poorly 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)
-1.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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