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CAS 193818-13-2 3-[4-(tertbutoxycarbonyl)piperazin-1-yl]benzoic acid molecular structure lightbox
CAS RN: 193818-13-2

3-[4-(tertbutoxycarbonyl)piperazin-1-yl]benzoic acid

Product Availability

Choose a grade to view its available package options.

7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250510 1g In stock Inquiry
Batchno.20250614 250mg In stock Inquiry
Batchno.20260419 50mg In stock Inquiry
Batchno.20260606 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251119 1g In stock Shanghai, Chengdu Inquiry
Batchno.20260220 250mg In stock Shanghai Inquiry
Batchno.20251113 5g In stock Shanghai Inquiry
  • Product code: SSC-091554
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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: 0.1g, 0.25g, 1g, 5g, 10g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • 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 193818-13-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Hong Kong Inquiry
0.25g >97% 5 In Stock Shenzhen Inquiry
1g >97% 5 In Stock Hong Kong Inquiry
5g >97% 4 In Stock Beijing Inquiry
10g >97% 3 In Stock Shanghai Inquiry

193818-13-2 / 3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid

Standard CAS: 193818-13-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
193818-13-2
Multi CAS
No
Molecular Formula
C16H22N2O4
Molecular Weight
306.360000
Exact Mass
306.157957
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC(=C2)C(=O)O
InChI
InChI=1S/C16H22N2O4/c1-16(2,3)22-15(21)18-9-7-17(8-10-18)13-6-4-5-12(11-13)14(19)20/h4-6,11H,7-10H2,1-3H3,(H,19,20)
InChIKey
CUQKZVZRDLXPHZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
83.42
TPSA
70.08

LogP / Solubility

WLOGP
2.44
MLOGP
2.16
XLogP3
2.2
Consensus LogP
2.27
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.84
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.92
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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