CAS RN: 1326216-30-1
5-broMo-4-Methyl-3-((triMethylsilyl)ethynyl)pyridin-2-aMine
- Product code: SSC-039419
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1326216-30-1 / 5-bromo-4-methyl-3-(2-trimethylsilylethynyl)pyridin-2-amine
Basic Information
CAS
1326216-30-1
Multi CAS
No
Molecular Formula
C11H15BrN2Si
Molecular Weight
283.240000
Exact Mass
282.018790
SMILES
CC1=C(C(=NC=C1Br)N)C#C[Si](C)(C)C
InChI
InChI=1S/C11H15BrN2Si/c1-8-9(5-6-15(2,3)4)11(13)14-7-10(8)12/h7H,1-4H3,(H2,13,14)
InChIKey
GDZPXFZMRBTNDX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
71.31
TPSA
38.91
LogP / Solubility
WLOGP
2.96
MLOGP
2.62
XLogP3
2.96
Consensus LogP
2.85
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-3.96
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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