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CAS 632-56-4 TETRAETHYL 1,1,2,2-ETHANETETRACARBOXYLATE molecular structure lightbox
CAS RN: 632-56-4

TETRAETHYL 1,1,2,2-ETHANETETRACARBOXYLATE

  • Product code: SSC-172793
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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: ＞97%
  • 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 632-56-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

632-56-4 / tetraethyl ethane-1,1,2,2-tetracarboxylate

Standard CAS: 632-56-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
632-56-4
Multi CAS
Yes
Molecular Formula
C14H22O8
Molecular Weight
318.320000
Exact Mass
318.131468
InChI
InChI=1S/C14H22O8/c1-5-19-11(15)9(12(16)20-6-2)10(13(17)21-7-3)14(18)22-8-4/h9-10H,5-8H2,1-4H3
InChIKey
UQSBVZIXVVORQC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
0.71
Rotatable bonds
9
H-bond acceptors
8
Molar refractivity
73.51
TPSA
105.2

LogP / Solubility

WLOGP
0.47
MLOGP
0.43
XLogP3
1.6
Consensus LogP
0.83
Log S (ESOL)
-1.52
Class (ESOL)
Soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.2
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
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
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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