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: 10g, 25g, 5g, 100g, 1g
- Available purity: ≥98%
- Inventory rows with stock: 4
- 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 |
|---|---|---|---|---|
| 10g | ≥98% | 2 In Stock | Shenzhen | Inquiry |
| 25g | ≥98% | 2 In Stock | Shenzhen | Inquiry |
| 5g | ≥98% | 1 In Stock | Hong Kong | Inquiry |
| 100g | ≥98% | 1 In Stock | Shanghai | Inquiry |
| 1g | ≥98% | 0 Out of Stock | Shenzhen | Inquiry |
884495-14-1 / 5-bromo-2-methoxy-4-methyl-3-nitropyridine
Basic Information
CAS
884495-14-1
Multi CAS
Yes
Molecular Formula
BC7H7O3Rn2
Molecular Weight
247.050000
Exact Mass
245.964000
InChI
InChI=1S/C7H7BrN2O3/c1-4-5(8)3-9-7(13-2)6(4)10(11)12/h3H,1-2H3
InChIKey
BGDKJBCVNNWITN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
49.88
TPSA
65.26
LogP / Solubility
WLOGP
2.07
MLOGP
1.83
XLogP3
2
Consensus LogP
1.97
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.22
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)
-2.76
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
