CAS RN: 64837-91-8
2-BroMo-5,6-diMethoxy-3-Methyl-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.20251205 | 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS64837-91-8
- Purity/Analytical Methods: >99.0%
64837-91-8 / 2-bromo-5,6-dimethoxy-3-methylpyridine
Basic Information
CAS
64837-91-8
Multi CAS
No
Molecular Formula
BC8H10O2Rn
Molecular Weight
232.070000
Exact Mass
230.989490
InChI
InChI=1S/C8H10BrNO2/c1-5-4-6(11-2)8(12-3)10-7(5)9/h4H,1-3H3
InChIKey
XQHPLQOOHHDFDO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
49.78
TPSA
31.35
LogP / Solubility
WLOGP
2.17
MLOGP
1.91
XLogP3
2.5
Consensus LogP
2.19
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.21
Class (SILICOS-IT)
Poorly 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)
-2.6
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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