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CAS 1209646-17-2 5-(4-(tert-butoxycarbonyl)piperazin-1-yl)pyrazine-2-carboxylic acid molecular structure lightbox
CAS RN: 1209646-17-2

5-(4-(tert-butoxycarbonyl)piperazin-1-yl)pyrazine-2-carboxylic acid

  • Product code: SSC-022301
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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, 10g
  • Available purity: >98%
  • 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 1209646-17-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >98% 1 In Stock Shenzhen Inquiry
0.25g >98% 1 In Stock Beijing Inquiry
1g >98% 1 In Stock Shanghai Inquiry
5g >98% 0 Out of Stock Shenzhen Inquiry
10g >98% 0 Out of Stock Beijing Inquiry

1209646-17-2 / 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazine-2-carboxylic acid

5-{4-[(tert-butoxy)carbonyl]piperazin-1-yl}pyrazine-2-carboxylic acid | 5-(4-((tert-butoxy)carbonyl)piperazin-1-yl)pyrazine-2-carboxylic acid | RefChem:530079

Standard CAS: 1209646-17-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1209646-17-2
Multi CAS
No
Molecular Formula
C14H20N4O4
Molecular Weight
308.330000
Exact Mass
308.148455
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=C(N=C2)C(=O)O
InChI
InChI=1S/C14H20N4O4/c1-14(2,3)22-13(21)18-6-4-17(5-7-18)11-9-15-10(8-16-11)12(19)20/h8-9H,4-7H2,1-3H3,(H,19,20)
InChIKey
ANDWAJHNYJXSJC-UHFFFAOYSA-N
Synonyms
5-{4-[(tert-butoxy)carbonyl]piperazin-1-yl}pyrazine-2-carboxylic acid 5-(4-((tert-butoxy)carbonyl)piperazin-1-yl)pyrazine-2-carboxylic acid RefChem:530079 972-373-6 5-(4-(tert-Butoxycarbonyl)piperazin-1-yl)pyrazine-2-carboxylic acid

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
1
Molar refractivity
79.01
TPSA
95.86

LogP / Solubility

WLOGP
1.23
MLOGP
1.1
XLogP3
0.8
Consensus LogP
1.04
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.93
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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