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CAS 681482-19-9 tert-butyl 4-p-tolylpiperazine-1-carboxylate molecular structure lightbox
CAS RN: 681482-19-9

tert-butyl 4-p-tolylpiperazine-1-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251130 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-177881
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.1g, 0.25g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 681482-19-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 2 In Stock Shenzhen Inquiry
0.1g >97% 0 Out of Stock Beijing Inquiry
0.25g >97% 0 Out of Stock Beijing Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry

681482-19-9 / tert-butyl 4-(4-methylphenyl)piperazine-1-carboxylate

Standard CAS: 681482-19-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
681482-19-9
Multi CAS
Yes
Molecular Formula
C16H24N2O2
Molecular Weight
276.370000
Exact Mass
276.183778
InChI
InChI=1S/C16H24N2O2/c1-13-5-7-14(8-6-13)17-9-11-18(12-10-17)15(19)20-16(2,3)4/h5-8H,9-12H2,1-4H3
InChIKey
XWXGRCUZGMGJTK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
81.2
TPSA
32.78

LogP / Solubility

WLOGP
3.05
MLOGP
2.7
XLogP3
3.1
Consensus LogP
2.95
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.11
Class (SILICOS-IT)
Slightly 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)
-2.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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