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CAS 1523530-70-2 oxalic acid molecular structure lightbox
CAS RN: 1523530-70-2

oxalic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251118 100mg Out of stock 1 business days Inquiry
  • Product code: starshine_CAS1523530-70-2
  • Purity/Analytical Methods: >99.0%
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1523530-70-2 / (2S,6S)-2,6-dimethylpiperazine;oxalic acid

Standard CAS: 1523530-70-2 Multi CAS: No
Basic Information Computed Properties

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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