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CAS 1140-17-6 2-Amino-4′-bromobenzophenone molecular structure lightbox
CAS RN: 1140-17-6

2-Amino-4′-bromobenzophenone

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250208 1g In stock Inquiry
Batchno.20260106 5g In stock Inquiry
  • Product code: SSC-013916
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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, 25g, 100g
  • 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 1140-17-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 2 In Stock Shenzhen Inquiry
5g ≥98% 0 Out of Stock Hong Kong Inquiry
25g ≥98% 0 Out of Stock Shanghai Inquiry
100g ≥98% 0 Out of Stock Beijing Inquiry

1140-17-6 / (2-aminophenyl)-(4-bromophenyl)methanone

2-amino-4'-bromobenzophenone | DTXSID70412777 | RefChem:255414

Standard CAS: 1140-17-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1140-17-6
Multi CAS
No
Molecular Formula
C13H10BrNO
Molecular Weight
276.130000
Exact Mass
274.994580
SMILES
C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)Br)N
InChI
InChI=1S/C13H10BrNO/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15/h1-8H,15H2
InChIKey
WIISOMGJWLLMDG-UHFFFAOYSA-N
Synonyms
2-amino-4'-bromobenzophenone DTXSID70412777 RefChem:255414 DTXCID60363628 628-416-3

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
68.43
TPSA
43.09

LogP / Solubility

WLOGP
3.26
MLOGP
2.88
XLogP3
4
Consensus LogP
3.38
Log S (ESOL)
-4.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.4
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H317 (97.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501

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