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CAS 651358-41-7 1-broMo-3-(3,4-dichlorophenyl)propan-2-one molecular structure lightbox
CAS RN: 651358-41-7

1-broMo-3-(3,4-dichlorophenyl)propan-2-one

  • Product code: SSC-174796
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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
  • Available purity: >95%
  • Inventory rows with stock: 3
  • 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 651358-41-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
1g >95% 1 In Stock Beijing Inquiry

651358-41-7 / 1-bromo-3-(3,4-dichlorophenyl)propan-2-one

Standard CAS: 651358-41-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
651358-41-7
Multi CAS
No
Molecular Formula
C9H7BRCL2O
Molecular Weight
281.960000
Exact Mass
279.905730
InChI
InChI=1S/C9H7BrCl2O/c10-5-7(13)3-6-1-2-8(11)9(12)4-6/h1-2,4H,3,5H2
InChIKey
QDXQRVMHTLDGOE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
58.97
TPSA
17.07

LogP / Solubility

WLOGP
3.5
MLOGP
3.09
XLogP3
3.6
Consensus LogP
3.4
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.76
Class (SILICOS-IT)
Slightly 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)
-1.96

Drug-likeness / Medicinal Chemistry

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

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