CAS RN: 16588-25-3
4-BroMo-2-nitro-N-phenylaniline
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250908 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-072443
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
- Available purity: >95%
- Inventory rows with stock: 2
- 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.
16588-25-3 / 4-bromo-2-nitro-N-phenylaniline
Basic Information
CAS
16588-25-3
Multi CAS
No
Molecular Formula
C12H9BrN2O2
Molecular Weight
293.120000
Exact Mass
291.984740
SMILES
C1=CC=C(C=C1)NC2=C(C=C(C=C2)Br)[N+](=O)[O-]
InChI
InChI=1S/C12H9BrN2O2/c13-9-6-7-11(12(8-9)15(16)17)14-10-4-2-1-3-5-10/h1-8,14H
InChIKey
YYBRRJVPEFDOOE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
70.52
TPSA
55.17
LogP / Solubility
WLOGP
4.1
MLOGP
3.62
XLogP3
4.4
Consensus LogP
4.04
Log S (ESOL)
-4.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.92
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.33
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.6
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
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