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CAS 854624-54-7 4-BroMo-3-Methyl-2-nitroaniline molecular structure lightbox
CAS RN: 854624-54-7

4-BroMo-3-Methyl-2-nitroaniline

  • Product code: SSC-193854
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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: 0.1g, 0.25g, 1g, 5g, 10g, 25g
  • Available purity: >95%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 854624-54-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Shanghai Inquiry
0.25g >95% 2 In Stock Beijing Inquiry
1g >95% 2 In Stock Beijing Inquiry
5g >95% 2 In Stock Hong Kong Inquiry
10g >95% 2 In Stock Hong Kong Inquiry
25g >95% 1 In Stock Shanghai Inquiry

854624-54-7 / 4-bromo-3-methyl-2-nitroaniline

Standard CAS: 854624-54-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
854624-54-7
Multi CAS
Yes
Molecular Formula
BC7H7O2Rn2
Molecular Weight
231.050000
Exact Mass
229.969090
InChI
InChI=1S/C7H7BrN2O2/c1-4-5(8)2-3-6(9)7(4)10(11)12/h2-3H,9H2,1H3
InChIKey
BFFARMFHNYJRGS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.95
TPSA
69.16

LogP / Solubility

WLOGP
2.25
MLOGP
1.98
XLogP3
2.7
Consensus LogP
2.31
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.15
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)
-2.53

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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