CAS RN: 35694-06-5
2,2′,3,4,4′,5-HEXACHLOROBIPHENYL
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20251130 | 1ml | In stock | Inquiry |
- Product code: starshine_CAS35694-06-5
- Purity/Analytical Methods: >99.0%
35694-06-5 / 1,2,3,4-tetrachloro-5-(2,4-dichlorophenyl)benzene
Basic Information
CAS
35694-06-5
Multi CAS
No
Molecular Formula
C12H4CL6
Molecular Weight
360.900000
Exact Mass
359.841466
InChI
InChI=1S/C12H4Cl6/c13-5-1-2-6(8(14)3-5)7-4-9(15)11(17)12(18)10(7)16/h1-4H
InChIKey
CKLLRBPBZLTGDJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Rotatable bonds
1
Molar refractivity
81.94
TPSA
0.0000
LogP / Solubility
WLOGP
7.27
MLOGP
6.42
XLogP3
7.4
Consensus LogP
7.03
Log S (ESOL)
-7.09
Class (ESOL)
Insoluble
Log S (Ali)
-7.77
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.16
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
Yes
Log Kp (skin permeation)
0.24
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
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