CAS RN: 37680-73-2
2,2′,4,5,5′-PENTACHLOROBIPHENYL
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.20260626 | 1.2ml | In stock | Inquiry |
- Product code: starshine_CAS37680-73-2
- Purity/Analytical Methods: >99.0%
37680-73-2 / 1,2,4-trichloro-5-(2,5-dichlorophenyl)benzene
Basic Information
CAS
37680-73-2
Multi CAS
Yes
Molecular Formula
C12H5CL5
Molecular Weight
326.400000
Exact Mass
325.880439
InChI
InChI=1S/C12H5Cl5/c13-6-1-2-9(14)7(3-6)8-4-11(16)12(17)5-10(8)15/h1-5H
InChIKey
LAHWLEDBADHJGA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
1
Molar refractivity
76.93
TPSA
0.0000
LogP / Solubility
WLOGP
6.62
MLOGP
5.84
XLogP3
6.5
Consensus LogP
6.32
Log S (ESOL)
-6.49
Class (ESOL)
Insoluble
Log S (Ali)
-7.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.4
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
2H-3-Benzazepin-2-one, 1,3,4,5-tetrahydro-8-Methoxy-
- CAS RN: 37682-06-7
- Product Code: SSC-145121
-
ANTIPAIN, DIHYDROCHLORIDE
- CAS RN: 37682-72-7
- Product Code: starshine_CAS37682-72-7
- Purity/Analytical method: >99.0%
-
-
-
-
