CAS RN: 5216-35-3
1,2-Bis(4-chlorophenyl)ethane
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.20250218 | 100mg / 250mg / 1g | Out of stock | 3-5 business days | Inquiry |
- Product code: starshine_CAS5216-35-3
- Purity/Analytical Methods: >99.0%
5216-35-3 / 1-chloro-4-[2-(4-chlorophenyl)ethyl]benzene
Basic Information
CAS
5216-35-3
Multi CAS
No
Molecular Formula
C14H12CL2
Molecular Weight
251.100000
Exact Mass
250.031606
InChI
InChI=1S/C14H12Cl2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h3-10H,1-2H2
InChIKey
HTHGRQSFMYIQHB-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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