CAS RN: 827-94-1
2,6-Dibromo-4-nitroaniline
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
- Product code: SSC-190767
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: 25g, 100g, 250g
- Available purity: >97%
- Inventory rows with stock: 3
- 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.
827-94-1 / 2,6-dibromo-4-nitroaniline
Basic Information
CAS
827-94-1
Multi CAS
No
Molecular Formula
C6H4BR2N2O2
Molecular Weight
295.920000
Exact Mass
295.861900
InChI
InChI=1S/C6H4Br2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2
InChIKey
YMZIFDLWYUSZCC-UHFFFAOYSA-N
Physical Properties
Boiling Point
207 °C
Physical Description
Yellow solid; [HSDB]
Appearance
YELLOW NEEDLES FROM ALCOHOL OR ACETIC ACID
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.91
TPSA
69.16
LogP / Solubility
WLOGP
2.7
MLOGP
2.39
XLogP3
3.2
Consensus LogP
2.76
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.94
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.95
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)
-2.61
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
