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CAS 17529-98-5 Cyclopentanone p-Toluenesulfonylhydrazone molecular structure lightbox
CAS RN: 17529-98-5

Cyclopentanone p-Toluenesulfonylhydrazone

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251129 250mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong 8-10 business days Inquiry
  • Product code: SSC-076947
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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: 10g
  • 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 17529-98-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥98% 0 Out of Stock Beijing Inquiry

17529-98-5 / N-(cyclopentylideneamino)-4-methylbenzenesulfonamide

Standard CAS: 17529-98-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
17529-98-5
Multi CAS
No
Molecular Formula
C12H16N2O2S
Molecular Weight
252.330000
Exact Mass
252.093249
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NN=C2CCCC2
InChI
InChI=1S/C12H16N2O2S/c1-10-6-8-12(9-7-10)17(15,16)14-13-11-4-2-3-5-11/h6-9,14H,2-5H2,1H3
InChIKey
SFWNHVHJYZEPSM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
67.4
TPSA
58.53

LogP / Solubility

WLOGP
2.2
MLOGP
1.95
XLogP3
1.9
Consensus LogP
2.02
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.22
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
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)
-2.69

Drug-likeness / Medicinal Chemistry

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

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