CAS RN: 6131-98-2
SODIUM BITARTRATE, MONOHYDRATE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250414 | 20g / 100g / 500g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS6131-98-2
- Purity/Analytical Methods: >99.0%
6131-98-2 / sodium;2,3,4-trihydroxy-4-oxobutanoate;hydrate
Basic Information
CAS
6131-98-2
Multi CAS
Yes
Molecular Formula
C4H7NAO7
Molecular Weight
190.080000
Exact Mass
190.008947
InChI
InChI=1S/C4H6O6.Na.H2O/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);;1H2/q;+1;/p-1
InChIKey
LLVQEXSQFBTIRD-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
3
Molar refractivity
28.27
TPSA
149.39
LogP / Solubility
WLOGP
-7.28
MLOGP
-6.41
XLogP3
-7.28
Consensus LogP
-6.99
Log S (ESOL)
3.76
Class (ESOL)
Highly soluble
Log S (Ali)
4.14
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
4.79
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)
-9.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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