CAS RN: 1256819-65-4
4-Pyridinecarboxylic acid, 2-bromo-5-methoxy-, methyl ester
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.20250507 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1256819-65-4
- Purity/Analytical Methods: >99.0%
1256819-65-4 / methyl 2-bromo-5-methoxypyridine-4-carboxylate
Basic Information
CAS
1256819-65-4
Multi CAS
No
Molecular Formula
C8H8BrNO3
Molecular Weight
246.060000
Exact Mass
244.968760
SMILES
COC1=CN=C(C=C1C(=O)OC)Br
InChI
InChI=1S/C8H8BrNO3/c1-12-6-4-10-7(9)3-5(6)8(11)13-2/h3-4H,1-2H3
InChIKey
NAQODWOOZJGDKM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
49.83
TPSA
48.42
LogP / Solubility
WLOGP
1.64
MLOGP
1.45
XLogP3
1.7
Consensus LogP
1.6
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.76
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
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)
-3.06
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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- Product Code: SSC-030802
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