CAS RN: 14538-51-3
2,3-BUTANEDIONE DIOXIME SULFATE
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.20251023 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS14538-51-3
- Purity/Analytical Methods: >99.0%
14538-51-3 / N-[3-(hydroxyamino)-2,3-dimethylbutan-2-yl]hydroxylamine;sulfuric acid
Basic Information
CAS
14538-51-3
Multi CAS
No
Molecular Formula
C6H18N2O6S
Molecular Weight
246.280000
Exact Mass
246.088557
SMILES
CC(C)(C(C)(C)NO)NO.OS(=O)(=O)O
InChI
InChI=1S/C6H16N2O2.H2O4S/c1-5(2,7-9)6(3,4)8-10;1-5(2,3)4/h7-10H,1-4H3;(H2,1,2,3,4)
InChIKey
IUVKJBVHRBBGOL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
6
Molar refractivity
52.18
TPSA
139.12
LogP / Solubility
WLOGP
-0.15
MLOGP
-0.13
XLogP3
-0.15
Consensus LogP
-0.14
Log S (ESOL)
-1.07
Class (ESOL)
Soluble
Log S (Ali)
-1.47
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.5
Class (SILICOS-IT)
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)
-4.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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