![CAS 82799-91-5 [2,2′-bipyridine]-5,5′-dicarbonyl dichloride molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/82799-91-5.png)
CAS RN: 82799-91-5
[2,2′-bipyridine]-5,5′-dicarbonyl dichloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260228 | 1g | Out of stock | Inquiry |
- Product code: LINB887454
82799-91-5 / 6-(5-carbonochloridoyl-2-pyridinyl)pyridine-3-carbonyl chloride
Basic Information
CAS
82799-91-5
Multi CAS
No
Molecular Formula
C12H6CL2N2O2
Molecular Weight
281.090000
Exact Mass
279.980633
InChI
InChI=1S/C12H6Cl2N2O2/c13-11(17)7-1-3-9(15-5-7)10-4-2-8(6-16-10)12(14)18/h1-6H
InChIKey
PVUKYKDJKZKUCM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
67.84
TPSA
59.92
LogP / Solubility
WLOGP
2.9
MLOGP
2.56
XLogP3
2.5
Consensus LogP
2.65
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.96
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.26
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)
-2.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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