CAS RN: 1185319-83-8
3-Bromo-2-methyl-6-(methoxy-d3)-pyridine
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.20250202 | 5mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINB889862
1185319-83-8 / 3-bromo-2-methyl-6-(trideuteriomethoxy)pyridine
3-Bromo-2-methyl-6-(methoxy-d3)-pyridine | AKOS015944485 | CS-17652
Basic Information
CAS
1185319-83-8
Multi CAS
No
Molecular Formula
C7H8BrNO
Molecular Weight
205.070000
Exact Mass
203.997760
SMILES
[2H]C([2H])([2H])OC1=NC(=C(C=C1)Br)C
InChI
InChI=1S/C7H8BrNO/c1-5-6(8)3-4-7(9-5)10-2/h3-4H,1-2H3/i2D3
InChIKey
VWNXCCTWVAQAPL-BMSJAHLVSA-N
Synonyms
3-Bromo-2-methyl-6-(methoxy-d3)-pyridine
AKOS015944485
CS-17652
3-Bromo-2-methyl-6-(methoxy-d3)pyridine
F92423
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
43.23
TPSA
22.12
LogP / Solubility
WLOGP
2.16
MLOGP
1.9
XLogP3
2.2
Consensus LogP
2.09
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
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)
-2.42
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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