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CAS 852180-47-3 TERT-BUTYL 4-[4-(AMINOMETHYL)PHENYL]TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE molecular structure lightbox
CAS RN: 852180-47-3

TERT-BUTYL 4-[4-(AMINOMETHYL)PHENYL]TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE

Product Availability

Choose a grade to view its available package options.

7 package records6 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260121 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250912 1g Out of stock 8-10 business days Inquiry
Batchno.20250514 250mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260311 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250403 1g In stock Shenzhen Inquiry
Batchno.20260424 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20251031 5g In stock Shenzhen, Tianjin Inquiry
  • Product code: SSC-193463
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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, 5g
  • Available purity: >97%
  • 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 852180-47-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 0 Out of Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry

852180-47-3 / tert-butyl 4-[4-(aminomethyl)phenyl]piperazine-1-carboxylate

Standard CAS: 852180-47-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
852180-47-3
Multi CAS
No
Molecular Formula
C16H25N3O2
Molecular Weight
291.390000
Exact Mass
291.194677
InChI
InChI=1S/C16H25N3O2/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,8-12,17H2,1-3H3
InChIKey
TTXMFUXVXBAVIP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
84.35
TPSA
58.8

LogP / Solubility

WLOGP
2.2
MLOGP
1.95
XLogP3
1.6
Consensus LogP
1.92
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.62
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)
-2.93

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
2.5

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