CAS RN: 142014-11-7
PYRUVIC-13C3 ACID SODIUM SALT
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260220 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS142014-11-7
- Purity/Analytical Methods: >99.0%
142014-11-7 / sodium 2-oxo(1,2,3-13C3)propanoate
Basic Information
CAS
142014-11-7
Multi CAS
No
Molecular Formula
C3H3NaO3
Molecular Weight
113.022000
Exact Mass
113.008053
SMILES
[13CH3][13C](=O)[13C](=O)[O-].[Na+]
InChI
InChI=1S/C3H4O3.Na/c1-2(4)3(5)6;/h1H3,(H,5,6);/q;+1/p-1/i1+1,2+1,3+1;
InChIKey
DAEPDZWVDSPTHF-HCULJTSZSA-M
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
15.69
TPSA
57.2
LogP / Solubility
WLOGP
-4.67
MLOGP
-4.12
XLogP3
-4.67
Consensus LogP
-4.49
Log S (ESOL)
2.49
Class (ESOL)
Highly soluble
Log S (Ali)
2.91
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
3.38
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)
-6.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501
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