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CAS 1335-40-6 ETHYL 2-FUROATE molecular structure lightbox
CAS RN: 1335-40-6

ETHYL 2-FUROATE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251012 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS1335-40-6
  • Purity/Analytical Methods: >99.0%
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1335-40-6 / ethyl furan-2-carboxylate

Standard CAS: 1335-40-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1335-40-6
Multi CAS
No
Molecular Formula
C7H8O3
Molecular Weight
140.140000
Exact Mass
140.047344
SMILES
CCOC(=O)C1=CC=CO1
InChI
InChI=1S/C7H8O3/c1-2-9-7(8)6-4-3-5-10-6/h3-5H,2H2,1H3
InChIKey
NHXSTXWKZVAVOQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
34.66
TPSA
39.44

LogP / Solubility

WLOGP
1.46
MLOGP
1.27
XLogP3
1.5
Consensus LogP
1.41
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-1.76
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.02
Class (SILICOS-IT)
Moderately 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)
-2.54

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 89 of 90 companies (only 1.1% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

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