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CAS 1956331-49-9 3-bromo-7-(methylsulfonyl)quinoline molecular structure lightbox
CAS RN: 1956331-49-9

3-bromo-7-(methylsulfonyl)quinoline

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260508 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-092420
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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: 0.25g
  • 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 1956331-49-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Hong Kong Inquiry

1956331-49-9 / 3-bromo-7-methylsulfonylquinoline

Standard CAS: 1956331-49-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1956331-49-9
Multi CAS
No
Molecular Formula
C10H8BrNO2S
Molecular Weight
286.150000
Exact Mass
284.945910
SMILES
CS(=O)(=O)C1=CC2=NC=C(C=C2C=C1)Br
InChI
InChI=1S/C10H8BrNO2S/c1-15(13,14)9-3-2-7-4-8(11)6-12-10(7)5-9/h2-6H,1H3
InChIKey
BHWBHNPVFBHXJB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
62.55
TPSA
47.03

LogP / Solubility

WLOGP
2.4
MLOGP
2.12
XLogP3
2.1
Consensus LogP
2.21
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.63
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.76

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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