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CAS 57595-23-0 Methyl 4-oxotetrahydrofuran-3-carboxylate molecular structure lightbox
CAS RN: 57595-23-0

Methyl 4-oxotetrahydrofuran-3-carboxylate

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7 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260310 100g Out of stock Inquiry
Batchno.20250221 10g In stock Shanghai Inquiry
Batchno.20260310 1g In stock Shanghai Inquiry
Batchno.20260207 250mg In stock Shanghai Inquiry
Batchno.20250912 25g Out of stock Inquiry
Batchno.20250928 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250407 250mg / 1g / 5g / 10g / 25g Confirm by inquiry Shanghai, Shandong 8-10 business days Inquiry
  • Product code: starshine_CAS57595-23-0
  • Purity/Analytical Methods: >99.0%
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57595-23-0 / methyl 4-oxooxolane-3-carboxylate

Standard CAS: 57595-23-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
57595-23-0
Multi CAS
Yes
Molecular Formula
C6H8O4
Molecular Weight
144.120000
Exact Mass
144.042259
InChI
InChI=1S/C6H8O4/c1-9-6(8)4-2-10-3-5(4)7/h4H,2-3H2,1H3
InChIKey
FCUDJBUBWCJOLK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
31.33
TPSA
52.6

LogP / Solubility

WLOGP
-0.63
MLOGP
-0.56
XLogP3
-0.2
Consensus LogP
-0.46
Log S (ESOL)
-0.27
Class (ESOL)
Very soluble
Log S (Ali)
-0.29
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.2
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.04

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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