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CAS 1208847-38-4 Sodium 2-methyl-2-(pyrazin-2-yl)propanoate molecular structure lightbox
CAS RN: 1208847-38-4

Sodium 2-methyl-2-(pyrazin-2-yl)propanoate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250412 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1208847-38-4
  • Purity/Analytical Methods: >99.0%
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1208847-38-4 / sodium 2-methyl-2-pyrazin-2-ylpropanoate

sodium 2-methyl-2-(pyrazin-2-yl)propanoate | RefChem:886918 | 814-995-1

Standard CAS: 1208847-38-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1208847-38-4
Multi CAS
No
Molecular Formula
C8H9N2NaO2
Molecular Weight
188.160000
Exact Mass
188.056172
SMILES
CC(C)(C1=NC=CN=C1)C(=O)[O-].[Na+]
InChI
InChI=1S/C8H10N2O2.Na/c1-8(2,7(11)12)6-5-9-3-4-10-6;/h3-5H,1-2H3,(H,11,12);/q;+1/p-1
InChIKey
NDQNDQSINGBKCF-UHFFFAOYSA-M
Synonyms
sodium 2-methyl-2-(pyrazin-2-yl)propanoate RefChem:886918 814-995-1 MFCD12401611 sodium;2-methyl-2-pyrazin-2-ylpropanoate

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
40.07
TPSA
65.91

LogP / Solubility

WLOGP
-3.49
MLOGP
-3.07
XLogP3
-3.49
Consensus LogP
-3.35
Log S (ESOL)
0.98
Class (ESOL)
Highly soluble
Log S (Ali)
1.42
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.78
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-6.35

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

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

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