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CAS 1523571-88-1 oxalic acid molecular structure lightbox
CAS RN: 1523571-88-1

oxalic acid

  • Product code: SSC-062168
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1523571-88-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1523571-88-1 / oxalic acid;1-(oxetan-3-yl)piperidin-4-amine

Standard CAS: 1523571-88-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1523571-88-1
Multi CAS
No
Molecular Formula
C10H18N2O5
Molecular Weight
246.260000
Exact Mass
246.121572
SMILES
C1CN(CCC1N)C2COC2.C(=O)(C(=O)O)O
InChI
InChI=1S/C8H16N2O.C2H2O4/c9-7-1-3-10(4-2-7)8-5-11-6-8;3-1(4)2(5)6/h7-8H,1-6,9H2;(H,3,4)(H,5,6)
InChIKey
YMFLPRBJWRNZEY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
3
Molar refractivity
58.66
TPSA
113.09

LogP / Solubility

WLOGP
-1.04
MLOGP
-0.91
XLogP3
-1.04
Consensus LogP
-1
Log S (ESOL)
-0.65
Class (ESOL)
Very soluble
Log S (Ali)
-0.83
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.52
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)
-4.96

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
1.5

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