CAS RN: 635731-97-4
2-BROMO-4-HYDROXYNICOTINONITRILE
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.20250313 | 100mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS635731-97-4
- Purity/Analytical Methods: >99.0%
635731-97-4 / 2-bromo-4-oxo-1H-pyridine-3-carbonitrile
Basic Information
CAS
635731-97-4
Multi CAS
No
Molecular Formula
BC6H3ORn2
Molecular Weight
199.000000
Exact Mass
197.942880
InChI
InChI=1S/C6H3BrN2O/c7-6-4(3-8)5(10)1-2-9-6/h1-2H,(H,9,10)
InChIKey
PSCVYEBXCLQANK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
39.48
TPSA
56.65
LogP / Solubility
WLOGP
1.01
MLOGP
0.89
XLogP3
1
Consensus LogP
0.97
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.79
Class (SILICOS-IT)
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)
-3.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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