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CAS 19433-09-1 1-Bromo-3-(cyclopropylsulfonyl)benzene molecular structure lightbox
CAS RN: 19433-09-1

1-Bromo-3-(cyclopropylsulfonyl)benzene

  • Product code: SSC-091729
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 19433-09-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

19433-09-1 / 1-bromo-3-cyclopropylsulfonylbenzene

Standard CAS: 19433-09-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19433-09-1
Multi CAS
No
Molecular Formula
C9H9BrO2S
Molecular Weight
261.140000
Exact Mass
259.950660
SMILES
C1CC1S(=O)(=O)C2=CC(=CC=C2)Br
InChI
InChI=1S/C9H9BrO2S/c10-7-2-1-3-9(6-7)13(11,12)8-4-5-8/h1-3,6,8H,4-5H2
InChIKey
CWHGXRQPQNGBME-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
54.35
TPSA
34.14

LogP / Solubility

WLOGP
2.39
MLOGP
2.11
XLogP3
2.6
Consensus LogP
2.37
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.42
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.58
Class (SILICOS-IT)
Poorly 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)
-2.62

Drug-likeness / Medicinal Chemistry

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

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