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CAS 1046478-89-0 tert-butyl 4-(2-tosylhydrazono)piperidine-1-carboxylate molecular structure lightbox
CAS RN: 1046478-89-0

tert-butyl 4-(2-tosylhydrazono)piperidine-1-carboxylate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250210 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-006405
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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: 1g
  • 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 1046478-89-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1046478-89-0 / tert-butyl 4-[(4-methylphenyl)sulfonylhydrazinylidene]piperidine-1-carboxylate

tert-Butyl 4-(2-tosylhydrazono)piperidine-1-carboxylate | TERT-BUTYL 4-(2-(P-TOLYLSULFONYL)HYDRAZONO)PIPERIDINE-1-CARBOXYLATE | MFCD11100927

Standard CAS: 1046478-89-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1046478-89-0
Multi CAS
No
Molecular Formula
C17H25N3O4S
Molecular Weight
367.500000
Exact Mass
367.156577
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NN=C2CCN(CC2)C(=O)OC(C)(C)C
InChI
InChI=1S/C17H25N3O4S/c1-13-5-7-15(8-6-13)25(22,23)19-18-14-9-11-20(12-10-14)16(21)24-17(2,3)4/h5-8,19H,9-12H2,1-4H3
InChIKey
YOQAQRNVUNKUCQ-UHFFFAOYSA-N
Synonyms
tert-Butyl 4-(2-tosylhydrazono)piperidine-1-carboxylate TERT-BUTYL 4-(2-(P-TOLYLSULFONYL)HYDRAZONO)PIPERIDINE-1-CARBOXYLATE MFCD11100927 tert-butyl 4-[(4-methylphenyl)sulfonylhydrazinylidene]piperidine-1-carboxylate AR2558

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
95.98
TPSA
88.07

LogP / Solubility

WLOGP
2.66
MLOGP
2.36
XLogP3
2.1
Consensus LogP
2.37
Log S (ESOL)
-3.77
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.62
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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