CAS RN: 1523530-70-2
oxalic acid
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.20251118 | 100mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1523530-70-2
- Purity/Analytical Methods: >99.0%
1523530-70-2 / (2S,6S)-2,6-dimethylpiperazine;oxalic acid
Basic Information
CAS
1523530-70-2
Multi CAS
No
Molecular Formula
C8H16N2O4
Molecular Weight
204.220000
Exact Mass
204.111007
SMILES
C[C@H]1CNC[C@@H](N1)C.C(=O)(C(=O)O)O
InChI
InChI=1S/C6H14N2.C2H2O4/c1-5-3-7-4-6(2)8-5;3-1(4)2(5)6/h5-8H,3-4H2,1-2H3;(H,3,4)(H,5,6)/t5-,6-;/m0./s1
InChIKey
SGDBJISJUXHDLI-GEMLJDPKSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
4
Molar refractivity
50.2
TPSA
98.66
LogP / Solubility
WLOGP
-0.89
MLOGP
-0.78
XLogP3
-0.89
Consensus LogP
-0.85
Log S (ESOL)
-0.55
Class (ESOL)
Very soluble
Log S (Ali)
-0.59
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.25
Class (SILICOS-IT)
Very 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)
-4.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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