CAS RN: 337536-01-3
2-BROMOPYRIDINE-4-N-METHYLCARBOXAMIDE
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.20260626 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS337536-01-3
- Purity/Analytical Methods: >99.0%
337536-01-3 / 2-bromo-N-methylpyridine-4-carboxamide
Basic Information
CAS
337536-01-3
Multi CAS
No
Molecular Formula
BC7H7ORn2
Molecular Weight
215.050000
Exact Mass
213.974180
InChI
InChI=1S/C7H7BrN2O/c1-9-7(11)5-2-3-10-6(8)4-5/h2-4H,1H3,(H,9,11)
InChIKey
VHTGUQFOXREDMP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.33
TPSA
41.99
LogP / Solubility
WLOGP
1.2
MLOGP
1.06
XLogP3
1
Consensus LogP
1.09
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.18
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)
-3.18
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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