Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.25g, 1g, 5g, 0.1g, 10g, 25g, 50g, 100g
- Available purity: >98%
- Inventory rows with stock: 7
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | >98% | 5 In Stock | Shanghai | Inquiry |
| 1g | >98% | 5 In Stock | Shanghai | Inquiry |
| 5g | >98% | 5 In Stock | Shenzhen | Inquiry |
| 0.1g | >98% | 2 In Stock | Shanghai | Inquiry |
| 10g | >98% | 2 In Stock | Shanghai | Inquiry |
| 25g | >98% | 2 In Stock | Hong Kong | Inquiry |
| 50g | >98% | 1 In Stock | Shenzhen | Inquiry |
| 100g | >98% | 0 Out of Stock | Shenzhen | Inquiry |
944718-27-8 / 3-bromo-2-cyclopropylpyridine
Basic Information
CAS
944718-27-8
Multi CAS
No
Molecular Formula
BC8H8Rn
Molecular Weight
198.060000
Exact Mass
196.984010
InChI
InChI=1S/C8H8BrN/c9-7-2-1-5-10-8(7)6-3-4-6/h1-2,5-6H,3-4H2
InChIKey
XYNYKZSFFFJHQQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
43.91
TPSA
12.89
LogP / Solubility
WLOGP
2.72
MLOGP
2.39
XLogP3
2.1
Consensus LogP
2.4
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.33
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
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
