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CAS 61613-22-7 2-Bromodiphenylamine molecular structure lightbox
CAS RN: 61613-22-7

2-Bromodiphenylamine

  • Product code: SSC-170565
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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: 1g, 5g, 10g, 25g
  • Available purity: ≥98%
  • Inventory rows with stock: 1
  • 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 61613-22-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 1 In Stock Beijing Inquiry
5g ≥98% 0 Out of Stock Shanghai Inquiry
10g ≥98% 0 Out of Stock Beijing Inquiry
25g ≥98% 0 Out of Stock Beijing Inquiry

61613-22-7 / 2-bromo-N-phenylaniline

Standard CAS: 61613-22-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
61613-22-7
Multi CAS
No
Molecular Formula
BC12H10Rn
Molecular Weight
248.120000
Exact Mass
246.999660
InChI
InChI=1S/C12H10BrN/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H
InChIKey
WAAWAHYRHUWAFM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
63.87
TPSA
12.03

LogP / Solubility

WLOGP
4.19
MLOGP
3.7
XLogP3
4.2
Consensus LogP
4.03
Log S (ESOL)
-4.52
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.99
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.26

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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