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CAS 205434-75-9 1-N-Boc-2-(hydroxymethyl)piperazine molecular structure lightbox
CAS RN: 205434-75-9

1-N-Boc-2-(hydroxymethyl)piperazine

  • Product code: SSC-096598
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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, 0.25g, 100g
  • Available purity: >95%
  • 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 205434-75-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Shanghai Inquiry
5g >95% 5 In Stock Shenzhen Inquiry
25g >95% 5 In Stock Hong Kong Inquiry
10g >95% 4 In Stock Shanghai Inquiry
0.25g >95% 3 In Stock Beijing Inquiry
100g >95% 1 In Stock Shanghai Inquiry

205434-75-9 / tert-butyl 2-(hydroxymethyl)piperazine-1-carboxylate

Standard CAS: 205434-75-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
205434-75-9
Multi CAS
No
Molecular Formula
C10H20N2O3
Molecular Weight
216.280000
Exact Mass
216.147393
SMILES
CC(C)(C)OC(=O)N1CCNCC1CO
InChI
InChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-5-4-11-6-8(12)7-13/h8,11,13H,4-7H2,1-3H3
InChIKey
BCPPNDHZUPIXJM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
56.68
TPSA
61.8

LogP / Solubility

WLOGP
0.19
MLOGP
0.17
XLogP3
-0.2
Consensus LogP
0.05
Log S (ESOL)
-1.23
Class (ESOL)
Soluble
Log S (Ali)
-1.47
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.34
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.91

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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