CAS RN: 66548-50-3
3-(4-BROMOPHENYL)-6-CHLOROPYRIDAZINE
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251208 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINB927347
66548-50-3 / 3-(4-bromophenyl)-6-chloropyridazine
Basic Information
CAS
66548-50-3
Multi CAS
No
Molecular Formula
C10H6BRCLN2
Molecular Weight
269.520000
Exact Mass
267.940290
InChI
InChI=1S/C10H6BrClN2/c11-8-3-1-7(2-4-8)9-5-6-10(12)14-13-9/h1-6H
InChIKey
AIOVQWFBJVWQHC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
60.18
TPSA
25.78
LogP / Solubility
WLOGP
3.56
MLOGP
3.14
XLogP3
3.2
Consensus LogP
3.3
Log S (ESOL)
-4.32
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.49
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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