CAS RN: 7073-93-0
m-chlorocumene
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.20260624 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS7073-93-0
- Purity/Analytical Methods: >99.0%
7073-93-0 / 1-chloro-3-propan-2-ylbenzene
Basic Information
CAS
7073-93-0
Multi CAS
Yes
Molecular Formula
C9H11CL
Molecular Weight
154.630000
Exact Mass
154.054928
InChI
InChI=1S/C9H11Cl/c1-7(2)8-4-3-5-9(10)6-8/h3-7H,1-2H3
InChIKey
MCGSDKVOKTWDRB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
Molar refractivity
45.54
TPSA
0.0000
LogP / Solubility
WLOGP
3.46
MLOGP
3.04
XLogP3
4
Consensus LogP
3.5
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
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)
-1.2
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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