CAS RN: 2051-24-3
DECACHLOROBIPHENYL
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.20260403 | 1ml | In stock | Inquiry |
- Product code: starshine_CAS2051-24-3
- Purity/Analytical Methods: >99.0%
2051-24-3 / 1,2,3,4,5-pentachloro-6-(2,3,4,5,6-pentachlorophenyl)benzene
Basic Information
CAS
2051-24-3
Multi CAS
No
Molecular Formula
C12Cl10
Molecular Weight
498.600000
Exact Mass
497.682627
SMILES
C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C12Cl10/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16
InChIKey
ONXPZLFXDMAPRO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Rotatable bonds
1
Molar refractivity
101.98
TPSA
0.0000
LogP / Solubility
WLOGP
9.89
MLOGP
8.74
XLogP3
8.3
Consensus LogP
8.98
Log S (ESOL)
-9.5
Class (ESOL)
Insoluble
Log S (Ali)
-10.79
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.23
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)
1.26
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
2.5
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