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CAS 31161-47-4 (3-BroMophenyl)(2-thienyl)Methanone molecular structure lightbox
CAS RN: 31161-47-4

(3-BroMophenyl)(2-thienyl)Methanone

  • Product code: SSC-136419
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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: 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 31161-47-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Shenzhen Inquiry
0.25g >97% 0 Out of Stock Hong Kong Inquiry
1g >97% 0 Out of Stock Hong Kong Inquiry
5g >97% 0 Out of Stock Beijing Inquiry

31161-47-4 / (3-bromophenyl)-thiophen-2-ylmethanone

Standard CAS: 31161-47-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
31161-47-4
Multi CAS
No
Molecular Formula
C11H7BROS
Molecular Weight
267.140000
Exact Mass
265.940100
InChI
InChI=1S/C11H7BrOS/c12-9-4-1-3-8(7-9)11(13)10-5-2-6-14-10/h1-7H
InChIKey
RQQDVYVFIYKWNT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
61.89
TPSA
17.07

LogP / Solubility

WLOGP
3.74
MLOGP
3.3
XLogP3
4
Consensus LogP
3.68
Log S (ESOL)
-4.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.74
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)
-1.69

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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