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CAS 874831-61-5 1-(4-BOC-AMINOBUTYL)PIPERAZINE molecular structure lightbox
CAS RN: 874831-61-5

1-(4-BOC-AMINOBUTYL)PIPERAZINE

  • Product code: SSC-197520
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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
  • Available purity: >95%
  • Inventory rows with stock: 3
  • 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 874831-61-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
1g >95% 1 In Stock Hong Kong Inquiry
5g >95% 0 Out of Stock Beijing Inquiry

874831-61-5 / tert-butyl N-(4-piperazin-1-ylbutyl)carbamate

Standard CAS: 874831-61-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
874831-61-5
Multi CAS
Yes
Molecular Formula
C13H27N3O2
Molecular Weight
257.370000
Exact Mass
257.210327
InChI
InChI=1S/C13H27N3O2/c1-13(2,3)18-12(17)15-6-4-5-9-16-10-7-14-8-11-16/h14H,4-11H2,1-3H3,(H,15,17)
InChIKey
MGUWFJKBUTXYBW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.92
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
72.78
TPSA
53.6

LogP / Solubility

WLOGP
1.2
MLOGP
1.06
XLogP3
1
Consensus LogP
1.09
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.93
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)
-3.44

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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