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CAS 53874-26-3 3-BroMo-2,6-diMetylaniline molecular structure lightbox
CAS RN: 53874-26-3

3-BroMo-2,6-diMetylaniline

  • Product code: SSC-161272
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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: >98%
  • Inventory rows with stock: 5
  • 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 53874-26-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >98% 2 In Stock Shanghai Inquiry
0.25g >98% 2 In Stock Beijing Inquiry
1g >98% 2 In Stock Beijing Inquiry
5g >98% 2 In Stock Hong Kong Inquiry
10g >98% 2 In Stock Shenzhen Inquiry
25g >98% 0 Out of Stock Beijing Inquiry

53874-26-3 / 3-bromo-2,6-dimethylaniline

Standard CAS: 53874-26-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
53874-26-3
Multi CAS
No
Molecular Formula
BC8H10Rn
Molecular Weight
200.080000
Exact Mass
198.999660
InChI
InChI=1S/C8H10BrN/c1-5-3-4-7(9)6(2)8(5)10/h3-4H,10H2,1-2H3
InChIKey
HRRMPGSFIAVSNM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.03
TPSA
26.02

LogP / Solubility

WLOGP
2.65
MLOGP
2.33
XLogP3
2.7
Consensus LogP
2.56
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.16
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)
-2.06

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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