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CAS 473477-02-0 1-((5-broMo-2-Methylphenyl)sulfonyl)-4-Methylpiperidine molecular structure lightbox
CAS RN: 473477-02-0

1-((5-broMo-2-Methylphenyl)sulfonyl)-4-Methylpiperidine

  • Product code: SSC-154249
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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: ≥95%
  • 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 473477-02-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

473477-02-0 / 5-bromo-N,N,2-trimethylbenzenesulfonamide

Standard CAS: 473477-02-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
473477-02-0
Multi CAS
No
Molecular Formula
BC9H12O2RnS
Molecular Weight
278.170000
Exact Mass
276.977210
InChI
InChI=1S/C9H12BrNO2S/c1-7-4-5-8(10)6-9(7)14(12,13)11(2)3/h4-6H,1-3H3
InChIKey
FQUPVSPTFUHZSD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
59.75
TPSA
37.38

LogP / Solubility

WLOGP
2.01
MLOGP
1.78
XLogP3
2.1
Consensus LogP
1.96
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.99

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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