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CAS 153435-80-4 3-BROMO,N, N-DIMETHYLBENZENESULFONAMIDE molecular structure lightbox
CAS RN: 153435-80-4

3-BROMO,N, N-DIMETHYLBENZENESULFONAMIDE

Product Availability

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260429 1g In stock Inquiry
Batchno.20260410 250mg In stock Inquiry
Batchno.20260427 25g In stock Inquiry
Batchno.20260405 5g In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250402 250mg / 1g / 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: SSC-062879
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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: 5g
  • 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 153435-80-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

153435-80-4 / 3-bromo-N,N-dimethylbenzenesulfonamide

Standard CAS: 153435-80-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
153435-80-4
Multi CAS
No
Molecular Formula
C8H10BrNO2S
Molecular Weight
264.140000
Exact Mass
262.961560
SMILES
CN(C)S(=O)(=O)C1=CC(=CC=C1)Br
InChI
InChI=1S/C8H10BrNO2S/c1-10(2)13(11,12)8-5-3-4-7(9)6-8/h3-6H,1-2H3
InChIKey
RHBJVOGENJVLGT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
55.01
TPSA
37.38

LogP / Solubility

WLOGP
1.7
MLOGP
1.5
XLogP3
2
Consensus LogP
1.73
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.03
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)
-3.12

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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