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CAS 66314-77-0 3-broMo-2,4-diMethylaniline molecular structure lightbox
CAS RN: 66314-77-0

3-broMo-2,4-diMethylaniline

  • Product code: SSC-175954
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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: 0.25g, 1g, 5g, 10g, 25g, 100g
  • 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 66314-77-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 2 In Stock Shanghai Inquiry
1g >95% 2 In Stock Shanghai Inquiry
5g >95% 2 In Stock Shenzhen Inquiry
10g >95% 2 In Stock Hong Kong Inquiry
25g >95% 2 In Stock Shanghai Inquiry
100g >95% 2 In Stock Shenzhen Inquiry

66314-77-0 / 3-bromo-N,N-dimethylaniline

Standard CAS: 66314-77-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
66314-77-0
Multi CAS
Yes
Molecular Formula
BC8H10Rn
Molecular Weight
200.080000
Exact Mass
198.999660
InChI
InChI=1S/C8H10BrN/c1-10(2)8-5-3-4-7(9)6-8/h3-6H,1-2H3
InChIKey
USEXQPWLCGBYNT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
48.47
TPSA
3.24

LogP / Solubility

WLOGP
2.52
MLOGP
2.21
XLogP3
2.6
Consensus LogP
2.44
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.17
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)
-2.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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