CAS RN: 1330061-11-4
2-broMo-3,4,5-trichloropyridine
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.20260213 | 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1330061-11-4
- Purity/Analytical Methods: >99.0%
1330061-11-4 / 2-bromo-3,4,5-trichloropyridine
Basic Information
CAS
1330061-11-4
Multi CAS
No
Molecular Formula
C5HBrCl3N
Molecular Weight
261.300000
Exact Mass
258.835790
SMILES
C1=C(C(=C(C(=N1)Br)Cl)Cl)Cl
InChI
InChI=1S/C5HBrCl3N/c6-5-4(9)3(8)2(7)1-10-5/h1H
InChIKey
FIVRAKJGPYXVEV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
1
Molar refractivity
46.97
TPSA
12.89
LogP / Solubility
WLOGP
3.8
MLOGP
3.36
XLogP3
3.8
Consensus LogP
3.65
Log S (ESOL)
-4.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.52
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)
-1.61
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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