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CAS 1260075-17-9 PKR-IN-1 molecular structure lightbox
CAS RN: 1260075-17-9

PKR-IN-1

Product Availability

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10 package records10 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250202 100mg In stock Shanghai Inquiry
Batchno.20250526 10mg In stock Shanghai Inquiry
Batchno.20260104 10mg / 25mg / 100mg Confirm by inquiry Shanghai Inquiry
Batchno.20260426 1g In stock Shanghai Inquiry
Batchno.20250403 1mg In stock Shanghai Inquiry
Batchno.20250126 250mg In stock Shanghai Inquiry
Batchno.20260515 25mg In stock Shanghai Inquiry
Batchno.20251020 2mg In stock Shanghai Inquiry
Batchno.20250124 50mg In stock Shanghai Inquiry
Batchno.20260201 5mg In stock Shanghai Inquiry
  • Product code: SSC-031510
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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 1260075-17-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 0 Out of Stock Shenzhen Inquiry

1260075-17-9 / N-[4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide

Standard CAS: 1260075-17-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1260075-17-9
Multi CAS
No
Molecular Formula
C24H26N4O3S
Molecular Weight
450.600000
Exact Mass
450.172562
SMILES
C1CC1CN2CCN(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC5=C4N=CC=C5
InChI
InChI=1S/C24H26N4O3S/c29-24(28-15-13-27(14-16-28)17-18-6-7-18)20-8-10-21(11-9-20)26-32(30,31)22-5-1-3-19-4-2-12-25-23(19)22/h1-5,8-12,18,26H,6-7,13-17H2
InChIKey
XAYGBKHKBBXDAK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
16
Fraction Csp3
0.33
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
1
Molar refractivity
124.06
TPSA
82.61

LogP / Solubility

WLOGP
3.2
MLOGP
2.85
XLogP3
1.8
Consensus LogP
2.62
Log S (ESOL)
-4.63
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.97
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

Safety & Transport

Pictogram(s)
Irritant Environmental Hazard
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264, P270, P273, P301+P317, P330, P391, and P501

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