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CAS 5464-22-2 ETHANE-1,1,2,2-TETRACARBOXYLIC ACID TETRAMETHYL ESTER molecular structure lightbox
CAS RN: 5464-22-2

ETHANE-1,1,2,2-TETRACARBOXYLIC ACID TETRAMETHYL ESTER

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250201 1g In stock Shanghai Inquiry
Batchno.20250326 25g Out of stock Inquiry
Batchno.20250228 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS5464-22-2
  • Purity/Analytical Methods: >99.0%
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5464-22-2 / tetramethyl ethane-1,1,2,2-tetracarboxylate

Standard CAS: 5464-22-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5464-22-2
Multi CAS
Yes
Molecular Formula
C10H14O8
Molecular Weight
262.210000
Exact Mass
262.068867
InChI
InChI=1S/C10H14O8/c1-15-7(11)5(8(12)16-2)6(9(13)17-3)10(14)18-4/h5-6H,1-4H3
InChIKey
YFBFTGJJUOXWIC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.6
Rotatable bonds
5
H-bond acceptors
8
Molar refractivity
55.04
TPSA
105.2

LogP / Solubility

WLOGP
-1.09
MLOGP
-0.95
XLogP3
0.1
Consensus LogP
-0.65
Log S (ESOL)
-0.45
Class (ESOL)
Very soluble
Log S (Ali)
-0.92
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.06
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)
-5.09

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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