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CAS 186650-98-6 TERT-BUTYL 4-(4-CYANOPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE molecular structure lightbox
CAS RN: 186650-98-6

TERT-BUTYL 4-(4-CYANOPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE

Product Availability

Choose a grade to view its available package options.

8 package records8 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260604 5g / 10g / 25g / 100g Confirm by inquiry Shanghai 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250213 1g In stock Inquiry
Batchno.20250512 250mg In stock Inquiry
Batchno.20250301 50mg In stock Inquiry
Batchno.20250129 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250221 1g In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20250628 25g In stock Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250427 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-086746
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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, 5g, 25g, 10g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • 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 186650-98-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 5 In Stock Beijing Inquiry
1g >97% 5 In Stock Shanghai Inquiry
5g -- 1 In Stock Beijing Inquiry
5g >97% 1 In Stock Shenzhen Inquiry
25g -- 1 In Stock Shanghai Inquiry
25g >97% 1 In Stock Beijing Inquiry
10g -- 0 Out of Stock Shenzhen Inquiry
10g >97% 0 Out of Stock Shenzhen Inquiry

186650-98-6 / tert-butyl 4-(4-cyanophenyl)piperazine-1-carboxylate

Standard CAS: 186650-98-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
186650-98-6
Multi CAS
No
Molecular Formula
C16H21N3O2
Molecular Weight
287.360000
Exact Mass
287.163377
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)C#N
InChI
InChI=1S/C16H21N3O2/c1-16(2,3)21-15(20)19-10-8-18(9-11-19)14-6-4-13(12-17)5-7-14/h4-7H,8-11H2,1-3H3
InChIKey
WIBWVYVIBJOVIW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
81.18
TPSA
56.57

LogP / Solubility

WLOGP
2.62
MLOGP
2.31
XLogP3
2.4
Consensus LogP
2.44
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.8
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
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)
-2.62

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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