CAS RN: 4524-78-1
3,4,6-TRICHLORO-2-NITROPHENOL
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251112 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS4524-78-1
- Purity/Analytical Methods: >99.0%
4524-78-1 / 2-bromo-3,4,6-trichlorophenol
Basic Information
CAS
4524-78-1
Multi CAS
Yes
Molecular Formula
C6H2BRCL3O
Molecular Weight
276.300000
Exact Mass
273.835460
InChI
InChI=1S/C6H2BrCl3O/c7-4-5(10)2(8)1-3(9)6(4)11/h1,11H
InChIKey
IFXJBIXHNZHYGK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
50.84
TPSA
20.23
LogP / Solubility
WLOGP
4.11
MLOGP
3.63
XLogP3
4.5
Consensus LogP
4.08
Log S (ESOL)
-4.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.8
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.87
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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