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CAS 4282-33-1 Dimethyl 3,4-furandicarboxylate molecular structure lightbox
CAS RN: 4282-33-1

Dimethyl 3,4-furandicarboxylate

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260112 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: LIND920892
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4282-33-1 / dimethyl furan-3,4-dicarboxylate

Standard CAS: 4282-33-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4282-33-1
Multi CAS
No
Molecular Formula
C8H8O5
Molecular Weight
184.150000
Exact Mass
184.037173
InChI
InChI=1S/C8H8O5/c1-11-7(9)5-3-13-4-6(5)8(10)12-2/h3-4H,1-2H3
InChIKey
SEVRCIAIDGNMFY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
41.39
TPSA
65.74

LogP / Solubility

WLOGP
0.85
MLOGP
0.75
XLogP3
0.7
Consensus LogP
0.77
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.8
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.24

Drug-likeness / Medicinal Chemistry

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

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