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CAS 143174-36-1 Sodium Pivalate Hydrate molecular structure lightbox
CAS RN: 143174-36-1

Sodium Pivalate Hydrate

  • Product code: SSC-054509
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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: 10g, 5g, 25g, 100g
  • Available purity: ≥97%
  • 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 143174-36-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥97% 5 In Stock Beijing Inquiry
5g ≥97% 3 In Stock Shenzhen Inquiry
25g ≥97% 2 In Stock Beijing Inquiry
100g ≥97% 0 Out of Stock Shenzhen Inquiry

143174-36-1 / sodium;2,2-dimethylpropanoate;hydrate

Standard CAS: 143174-36-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
143174-36-1
Multi CAS
No
Molecular Formula
C5H11NaO3
Molecular Weight
142.130000
Exact Mass
142.060588
SMILES
CC(C)(C)C(=O)[O-].O.[Na+]
InChI
InChI=1S/C5H10O2.Na.H2O/c1-5(2,3)4(6)7;;/h1-3H3,(H,6,7);;1H2/q;+1;/p-1
InChIKey
OXKVPNMBQUHJHF-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
28.08
TPSA
71.63

LogP / Solubility

WLOGP
-4.04
MLOGP
-3.56
XLogP3
-4.04
Consensus LogP
-3.88
Log S (ESOL)
1.82
Class (ESOL)
Highly soluble
Log S (Ali)
2.19
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.77
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)
-6.45

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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