![CAS 6639-40-3 1-chloro-2-[2-(2-chlorophenyl)ethyl]benzene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/6639-40-3.gif)
CAS RN: 6639-40-3
1-chloro-2-[2-(2-chlorophenyl)ethyl]benzene
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260506 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS6639-40-3
- Purity/Analytical Methods: >99.0%
6639-40-3 / 1-chloro-2-[2-(2-chlorophenyl)ethyl]benzene
Basic Information
CAS
6639-40-3
Multi CAS
Yes
Molecular Formula
C14H12CL2
Molecular Weight
251.100000
Exact Mass
250.031606
InChI
InChI=1S/C14H12Cl2/c15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16/h1-8H,9-10H2
InChIKey
ZVWAKPJYJPOSRT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
3
Molar refractivity
70.31
TPSA
0.0000
LogP / Solubility
WLOGP
4.78
MLOGP
4.21
XLogP3
5.4
Consensus LogP
4.8
Log S (ESOL)
-4.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.62
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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