CAS RN: 7188-14-9
1,5-Bis(Chloromethyl)-2,4-Diisopropylbenzene
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.20260217 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS7188-14-9
- Purity/Analytical Methods: >99.0%
7188-14-9 / 1,5-bis(chloromethyl)-2,4-di(propan-2-yl)benzene
Basic Information
CAS
7188-14-9
Multi CAS
No
Molecular Formula
C14H20CL2
Molecular Weight
259.200000
Exact Mass
258.094206
InChI
InChI=1S/C14H20Cl2/c1-9(2)13-6-14(10(3)4)12(8-16)5-11(13)7-15/h5-6,9-10H,7-8H2,1-4H3
InChIKey
CJPLIVNNOQGTKR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
4
Molar refractivity
73.73
TPSA
0.0000
LogP / Solubility
WLOGP
5.41
MLOGP
4.77
XLogP3
5
Consensus LogP
5.06
Log S (ESOL)
-4.87
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.32
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.46
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
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