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CAS 745048-07-1 1-BOC-4-(4-AMINOBUTYL)PIPERAZINE molecular structure lightbox
CAS RN: 745048-07-1

1-BOC-4-(4-AMINOBUTYL)PIPERAZINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251212 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-183961
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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: 0.1g, 0.25g, 1g, 5g
  • 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 745048-07-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

745048-07-1 / tert-butyl 4-(4-aminobutyl)piperazine-1-carboxylate

Standard CAS: 745048-07-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
745048-07-1
Multi CAS
No
Molecular Formula
C13H27N3O2
Molecular Weight
257.370000
Exact Mass
257.210327
InChI
InChI=1S/C13H27N3O2/c1-13(2,3)18-12(17)16-10-8-15(9-11-16)7-5-4-6-14/h4-11,14H2,1-3H3
InChIKey
ZVLALOSAKAKWTC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.92
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
72.54
TPSA
58.8

LogP / Solubility

WLOGP
1.28
MLOGP
1.13
XLogP3
0.7
Consensus LogP
1.04
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
Class (SILICOS-IT)
Moderately 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)
-3.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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