CAS RN: 640721-49-9
2(1H)-Pyridinone,4-bromo-5,6-dimethyl-
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.20260127 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS640721-49-9
- Purity/Analytical Methods: >99.0%
640721-49-9 / 4-bromo-5,6-dimethyl-1H-pyridin-2-one
Basic Information
CAS
640721-49-9
Multi CAS
Yes
Molecular Formula
BC7H8ORn
Molecular Weight
202.050000
Exact Mass
200.978930
InChI
InChI=1S/C7H8BrNO/c1-4-5(2)9-7(10)3-6(4)8/h3H,1-2H3,(H,9,10)
InChIKey
REKJIRGJMRZCBX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
H-bond acceptors
1
H-bond donors
1
Molar refractivity
44.24
TPSA
32.86
LogP / Solubility
WLOGP
1.75
MLOGP
1.54
XLogP3
0.9
Consensus LogP
1.4
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.48
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.71
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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