CAS RN: 1227402-54-1
5-bromo-4-(5-bromo-2-chloropyridin-4-yl)-2-chloropyridine
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251114 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1227402-54-1
- Purity/Analytical Methods: >99.0%
1227402-54-1 / 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloropyridine
Basic Information
CAS
1227402-54-1
Multi CAS
No
Molecular Formula
C10H4Br2Cl2N2
Molecular Weight
382.860000
Exact Mass
381.809780
SMILES
C1=C(C(=CN=C1Cl)Br)C2=CC(=NC=C2Br)Cl
InChI
InChI=1S/C10H4Br2Cl2N2/c11-7-3-15-9(13)1-5(7)6-2-10(14)16-4-8(6)12/h1-4H
InChIKey
XOVNLSUYCAEACP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
72.89
TPSA
25.78
LogP / Solubility
WLOGP
4.98
MLOGP
4.4
XLogP3
4.7
Consensus LogP
4.69
Log S (ESOL)
-5.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.29
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.4
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-1.52
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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