CAS RN: 2093329-79-2
2-bromo-6-(4-isopropyl-4H-1,2,4-triazol-3-yl)pyridine
- Product code: SSC-099153
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 | Beijing | Inquiry |
2093329-79-2 / 2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine
Basic Information
CAS
2093329-79-2
Multi CAS
No
Molecular Formula
C10H11BrN4
Molecular Weight
267.130000
Exact Mass
266.016710
SMILES
CC(C)N1C=NN=C1C2=NC(=CC=C2)Br
InChI
InChI=1S/C10H11BrN4/c1-7(2)15-6-12-14-10(15)8-4-3-5-9(11)13-8/h3-7H,1-2H3
InChIKey
JGZSLGXLSHEGFA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
61.34
TPSA
43.6
LogP / Solubility
WLOGP
2.68
MLOGP
2.37
XLogP3
1.8
Consensus LogP
2.28
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.86
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.44
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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