CAS RN: 37680-65-2
2,2′,5-TRICHLOROBIPHENYL
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260629 | 25mg | In stock | Inquiry |
- Product code: starshine_CAS37680-65-2
- Purity/Analytical Methods: >99.0%
37680-65-2 / 1,4-dichloro-2-(2-chlorophenyl)benzene
Basic Information
CAS
37680-65-2
Multi CAS
Yes
Molecular Formula
C12H7CL3
Molecular Weight
257.500000
Exact Mass
255.961333
InChI
InChI=1S/C12H7Cl3/c13-8-5-6-12(15)10(7-8)9-3-1-2-4-11(9)14/h1-7H
InChIKey
DCMURXAZTZQAFB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
1
Molar refractivity
66.91
TPSA
0.0000
LogP / Solubility
WLOGP
5.31
MLOGP
4.68
XLogP3
5.6
Consensus LogP
5.2
Log S (ESOL)
-5.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.86
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)
-0.52
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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