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CAS 135776-98-6 2-Amino-4′-bromobenzophenone molecular structure lightbox
CAS RN: 135776-98-6

2-Amino-4′-bromobenzophenone

  • Product code: SSC-044370
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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: >95%
  • 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 135776-98-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
1g >95% 1 In Stock Hong Kong Inquiry
5g >95% 1 In Stock Beijing Inquiry

135776-98-6 / (2-amino-4-bromophenyl)-phenylmethanone

Standard CAS: 135776-98-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
135776-98-6
Multi CAS
No
Molecular Formula
C13H10BrNO
Molecular Weight
276.130000
Exact Mass
274.994580
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)Br)N
InChI
InChI=1S/C13H10BrNO/c14-10-6-7-11(12(15)8-10)13(16)9-4-2-1-3-5-9/h1-8H,15H2
InChIKey
NPOSTKZYBVQXNJ-UHFFFAOYSA-N

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
3.8
Consensus LogP
3.31
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

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