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CAS 1032-95-7 Tetramethyl cis,trans,cis-1,2,3,4-Cyclobutanetetracarboxylate molecular structure lightbox
CAS RN: 1032-95-7

Tetramethyl cis,trans,cis-1,2,3,4-Cyclobutanetetracarboxylate

  • Product code: SSC-004623
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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: 5g
  • 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 1032-95-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞95% 0 Out of Stock Shanghai Inquiry

1032-95-7 / tetramethyl cyclobutane-1,2,3,4-tetracarboxylate

DTXSID80908252 | Tetramethyl cyclobutane-1,2,3,4-tetracarboxylatato(2-) | RefChem:1099715

Standard CAS: 1032-95-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1032-95-7
Multi CAS
No
Molecular Formula
C12H16O8
Molecular Weight
288.250000
Exact Mass
288.084517
SMILES
COC(=O)C1C(C(C1C(=O)OC)C(=O)OC)C(=O)OC
InChI
InChI=1S/C12H16O8/c1-17-9(13)5-6(10(14)18-2)8(12(16)20-4)7(5)11(15)19-3/h5-8H,1-4H3
InChIKey
NXMOMNBIDWYNOP-UHFFFAOYSA-N
Synonyms
DTXSID80908252 Tetramethyl cyclobutane-1,2,3,4-tetracarboxylatato(2-) RefChem:1099715 DTXCID201337335 Tetramethyl 1,2,3,4-cyclobutanetetracarboxylate

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
8
Molar refractivity
62.02
TPSA
105.2

LogP / Solubility

WLOGP
-0.84
MLOGP
-0.73
XLogP3
-0.6
Consensus LogP
-0.72
Log S (ESOL)
-0.83
Class (ESOL)
Very soluble
Log S (Ali)
-1.31
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.31
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)
-5.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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