CAS RN: 52663-69-1
2,2′,3,4,4′,5′,6-HEPTACHLOROBIPHENYL
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250406 | 1ml | In stock | Inquiry |
- Product code: starshine_CAS52663-69-1
- Purity/Analytical Methods: >99.0%
52663-69-1 / 1,2,3,5-tetrachloro-4-(2,4,5-trichlorophenyl)benzene
Basic Information
CAS
52663-69-1
Multi CAS
No
Molecular Formula
C12H3CL7
Molecular Weight
395.300000
Exact Mass
393.802494
InChI
InChI=1S/C12H3Cl7/c13-5-2-7(15)6(14)1-4(5)10-8(16)3-9(17)11(18)12(10)19/h1-3H
InChIKey
KQBFUDNJKCZEDQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Rotatable bonds
1
Molar refractivity
86.95
TPSA
0.0000
LogP / Solubility
WLOGP
7.93
MLOGP
7
XLogP3
7.4
Consensus LogP
7.44
Log S (ESOL)
-7.69
Class (ESOL)
Insoluble
Log S (Ali)
-8.53
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.93
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)
0.5
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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