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CAS 1005500-75-3 N-Ethynyl-N,4-dimethylbenzenesulfonamide molecular structure lightbox
CAS RN: 1005500-75-3

N-Ethynyl-N,4-dimethylbenzenesulfonamide

Product Availability

Choose a grade to view its available package options.

10 package records10 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250312 1g In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20250711 250mg In stock Shandong, Guangdong Inquiry
Batchno.20250105 25g In stock Shandong Inquiry
Batchno.20260210 5g In stock Shandong, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260418 100g In stock Shanghai Inquiry
Batchno.20250219 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260125 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20251115 25g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20260529 500g In stock Shanghai Inquiry
Batchno.20260220 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: SSC-001149
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 10g, 25g, 0.25g, 5g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1005500-75-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Shanghai Inquiry
10g >97% 3 In Stock Beijing Inquiry
25g >97% 3 In Stock Shenzhen Inquiry
0.25g >97% 2 In Stock Beijing Inquiry
5g >97% 2 In Stock Shenzhen Inquiry
100g >97% 1 In Stock Shenzhen Inquiry

1005500-75-3 / N-ethynyl-N,4-dimethylbenzenesulfonamide

N-ethynyl-N,4-dimethylbenzene-1-sulfonamide | RefChem:830029 | 977-597-8

Standard CAS: 1005500-75-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1005500-75-3
Multi CAS
No
Molecular Formula
C10H11NO2S
Molecular Weight
209.270000
Exact Mass
209.051050
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N(C)C#C
InChI
InChI=1S/C10H11NO2S/c1-4-11(3)14(12,13)10-7-5-9(2)6-8-10/h1,5-8H,2-3H3
InChIKey
VRNLIJIYOKNEOP-UHFFFAOYSA-N
Synonyms
N-ethynyl-N,4-dimethylbenzene-1-sulfonamide RefChem:830029 977-597-8 N-ethynyl-N,4-dimethylbenzenesulfonamide MFCD30861485

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
54.96
TPSA
37.38

LogP / Solubility

WLOGP
1.21
MLOGP
1.06
XLogP3
1.8
Consensus LogP
1.36
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.26
Class (SILICOS-IT)
Moderately 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)
-3.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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