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CAS 808760-02-3 2-AMINO-3-BROMOBENZOPHENONE molecular structure lightbox
CAS RN: 808760-02-3

2-AMINO-3-BROMOBENZOPHENONE

  • Product code: SSC-189517
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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
  • Available purity: >97%
  • Inventory rows with stock: 4
  • 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 808760-02-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Shanghai Inquiry
0.25g >97% 5 In Stock Shanghai Inquiry
1g >97% 5 In Stock Hong Kong Inquiry
5g >97% 2 In Stock Beijing Inquiry

808760-02-3 / 1-(2-amino-3-bromophenyl)ethanone

Standard CAS: 808760-02-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
808760-02-3
Multi CAS
Yes
Molecular Formula
BC8H8ORn
Molecular Weight
214.060000
Exact Mass
212.978930
InChI
InChI=1S/C8H8BrNO/c1-5(11)6-3-2-4-7(9)8(6)10/h2-4H,10H2,1H3
InChIKey
DCHRSZPALFRBOX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
48.56
TPSA
43.09

LogP / Solubility

WLOGP
2.23
MLOGP
1.97
XLogP3
2.2
Consensus LogP
2.13
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.03
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)
-2.44

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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