CAS RN: 68194-17-2
2,2′,3,3′,4,5,5′,6-OCTACHLOROBIPHENYL
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250625 | 1ml | In stock | Inquiry |
- Product code: starshine_CAS68194-17-2
- Purity/Analytical Methods: >99.0%
68194-17-2 / 1,2,3,4,5-pentachloro-6-(2,3,5-trichlorophenyl)benzene
Basic Information
CAS
68194-17-2
Multi CAS
Yes
Molecular Formula
C12H2CL8
Molecular Weight
429.800000
Exact Mass
429.760571
InChI
InChI=1S/C12H2Cl8/c13-3-1-4(7(15)5(14)2-3)6-8(16)10(18)12(20)11(19)9(6)17/h1-2H
InChIKey
PJHBSPRZHUOIAS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Rotatable bonds
1
Molar refractivity
91.96
TPSA
0.0000
LogP / Solubility
WLOGP
8.58
MLOGP
7.58
XLogP3
8.1
Consensus LogP
8.09
Log S (ESOL)
-8.29
Class (ESOL)
Insoluble
Log S (Ali)
-9.28
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.7
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)
0.75
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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- CAS RN: 68195-02-8
- Product Code: starshine_CAS68195-02-8
- Purity/Analytical method: >99.0%
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