CAS RN: 819069-57-3
Pyridine, 3-bromo-6-methoxy-2,4-dimethyl- (9CI)
- Product code: SSC-190188
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
819069-57-3 / 3-bromo-6-methoxy-2,4-dimethylpyridine
Basic Information
CAS
819069-57-3
Multi CAS
No
Molecular Formula
BC8H10ORn
Molecular Weight
216.070000
Exact Mass
214.994580
InChI
InChI=1S/C8H10BrNO/c1-5-4-7(11-3)10-6(2)8(5)9/h4H,1-3H3
InChIKey
SZDHVOMPLABLPW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
47.96
TPSA
22.12
LogP / Solubility
WLOGP
2.47
MLOGP
2.18
XLogP3
2.6
Consensus LogP
2.42
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.23
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)
-2.28
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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