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CAS 1394371-75-5 nAChR agonist1 molecular structure lightbox
CAS RN: 1394371-75-5

nAChR agonist1

Product Availability

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8 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260525 100mg Out of stock Inquiry
Batchno.20251123 10mg In stock Shanghai Inquiry
Batchno.20250911 10mg / 50mg Out of stock 5-7 business days Inquiry
Batchno.20250804 1mg In stock Shanghai Inquiry
Batchno.20250204 250mg Out of stock Inquiry
Batchno.20251113 25mg In stock Shanghai Inquiry
Batchno.20260605 50mg Out of stock Inquiry
Batchno.20250424 5mg In stock Shanghai Inquiry
  • Product code: SSC-050087
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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: ≥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 1394371-75-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

1394371-75-5 / 4-[5-(4-chlorophenyl)-4-methyl-2-propanoylthiophen-3-yl]benzenesulfonamide

Standard CAS: 1394371-75-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1394371-75-5
Multi CAS
No
Molecular Formula
C20H18ClNO3S2
Molecular Weight
419.900000
Exact Mass
419.041664
SMILES
CCC(=O)C1=C(C(=C(S1)C2=CC=C(C=C2)Cl)C)C3=CC=C(C=C3)S(=O)(=O)N
InChI
InChI=1S/C20H18ClNO3S2/c1-3-17(23)20-18(13-6-10-16(11-7-13)27(22,24)25)12(2)19(26-20)14-4-8-15(21)9-5-14/h4-11H,3H2,1-2H3,(H2,22,24,25)
InChIKey
DYIIYIJHDMIABW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
17
Fraction Csp3
0.15
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
110.93
TPSA
77.23

LogP / Solubility

WLOGP
5.28
MLOGP
4.68
XLogP3
4.9
Consensus LogP
4.95
Log S (ESOL)
-5.91
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.82
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.38
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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