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CAS 7510-48-7 Benzenesulfonamide,N-(3-bromophenyl)-4-methyl- molecular structure lightbox
CAS RN: 7510-48-7

Benzenesulfonamide,N-(3-bromophenyl)-4-methyl-

  • Product code: SSC-184619
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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 7510-48-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Beijing Inquiry

7510-48-7 / N-(3-bromophenyl)-4-methylbenzenesulfonamide

Standard CAS: 7510-48-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
7510-48-7
Multi CAS
No
Molecular Formula
BC13H12O2RnS
Molecular Weight
326.210000
Exact Mass
324.977210
InChI
InChI=1S/C13H12BrNO2S/c1-10-5-7-13(8-6-10)18(16,17)15-12-4-2-3-11(14)9-12/h2-9,15H,1H3
InChIKey
HBZNLTGGGCUOMY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
76.13
TPSA
46.17

LogP / Solubility

WLOGP
3.56
MLOGP
3.15
XLogP3
3.5
Consensus LogP
3.4
Log S (ESOL)
-4.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.8
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.09
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.18

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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