CAS RN: 853030-09-8
2-Bromo-6-methoxy-4-pyridinecarboxylic acid methyl ester
- Product code: SSC-193657
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g
- Available purity: >95%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
853030-09-8 / methyl 2-bromo-6-methoxypyridine-4-carboxylate
Basic Information
CAS
853030-09-8
Multi CAS
No
Molecular Formula
BC8H8O3Rn
Molecular Weight
246.060000
Exact Mass
244.968760
InChI
InChI=1S/C8H8BrNO3/c1-12-7-4-5(8(11)13-2)3-6(9)10-7/h3-4H,1-2H3
InChIKey
CNKLBENTCUWMJW-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
2
Consensus LogP
1.7
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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