CAS RN: 39635-32-0
2,3,3′,5,5′-PENTACHLOROBIPHENYL
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260114 | 1ml | In stock | Inquiry |
- Product code: starshine_CAS39635-32-0
- Purity/Analytical Methods: >99.0%
39635-32-0 / 1,2,5-trichloro-3-(3,5-dichlorophenyl)benzene
Basic Information
CAS
39635-32-0
Multi CAS
No
Molecular Formula
C12H5CL5
Molecular Weight
326.400000
Exact Mass
325.880439
InChI
InChI=1S/C12H5Cl5/c13-7-1-6(2-8(14)3-7)10-4-9(15)5-11(16)12(10)17/h1-5H
InChIKey
QMUDLTGWHILKHH-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
6.8
Consensus LogP
6.42
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
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