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CAS 944899-79-0 1-Boc-4-[5-(aminomethyl)-2-pyrimidyl]piperazine molecular structure lightbox
CAS RN: 944899-79-0

1-Boc-4-[5-(aminomethyl)-2-pyrimidyl]piperazine

  • Product code: SSC-209428
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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: 0.05g, 0.1g, 0.25g
  • Available purity: ≥97%
  • Inventory rows with stock: 2
  • 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 944899-79-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g ≥97% 2 In Stock Shenzhen Inquiry
0.1g ≥97% 1 In Stock Hong Kong Inquiry
0.25g ≥97% 0 Out of Stock Beijing Inquiry

944899-79-0 / tert-butyl 4-[5-(aminomethyl)pyrimidin-2-yl]piperazine-1-carboxylate

Standard CAS: 944899-79-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
944899-79-0
Multi CAS
No
Molecular Formula
C14H23N5O2
Molecular Weight
293.360000
Exact Mass
293.185175
InChI
InChI=1S/C14H23N5O2/c1-14(2,3)21-13(20)19-6-4-18(5-7-19)12-16-9-11(8-15)10-17-12/h9-10H,4-8,15H2,1-3H3
InChIKey
VHQUWEPZINCGLX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.64
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
1
Molar refractivity
79.94
TPSA
84.58

LogP / Solubility

WLOGP
0.99
MLOGP
0.88
XLogP3
0.2
Consensus LogP
0.69
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.63
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.8

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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