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CAS 1788-08-5 4-Ethynylbenzenesulfonamide molecular structure lightbox
CAS RN: 1788-08-5

4-Ethynylbenzenesulfonamide

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251218 25mg / 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Guangdong 8-10 business days Inquiry
  • Product code: SSC-079567
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥98%
  • 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 1788-08-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥98% 0 Out of Stock Hong Kong Inquiry
0.25g ≥98% 0 Out of Stock Shenzhen Inquiry
1g ≥98% 0 Out of Stock Hong Kong Inquiry
5g ≥98% 0 Out of Stock Shenzhen Inquiry

1788-08-5 / 4-ethynylbenzenesulfonamide

Standard CAS: 1788-08-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1788-08-5
Multi CAS
No
Molecular Formula
C8H7NO2S
Molecular Weight
181.210000
Exact Mass
181.019750
SMILES
C#CC1=CC=C(C=C1)S(=O)(=O)N
InChI
InChI=1S/C8H7NO2S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h1,3-6H,(H2,9,10,11)
InChIKey
OQPUCENNUFNCQO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.75
TPSA
60.16

LogP / Solubility

WLOGP
0.32
MLOGP
0.28
XLogP3
0.7
Consensus LogP
0.43
Log S (ESOL)
-1.47
Class (ESOL)
Soluble
Log S (Ali)
-1.27
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.22
Class (SILICOS-IT)
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)
-3.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
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]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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