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CAS 64354-44-5 5-ETHYL-2-METHYL-3-FUROIC ACID molecular structure lightbox
CAS RN: 64354-44-5

5-ETHYL-2-METHYL-3-FUROIC ACID

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250326 25mg / 50mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS64354-44-5
  • Purity/Analytical Methods: >99.0%
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64354-44-5 / 5-ethyl-2-methylfuran-3-carboxylic acid

Standard CAS: 64354-44-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
64354-44-5
Multi CAS
No
Molecular Formula
C8H10O3
Molecular Weight
154.160000
Exact Mass
154.062994
InChI
InChI=1S/C8H10O3/c1-3-6-4-7(8(9)10)5(2)11-6/h4H,3H2,1-2H3,(H,9,10)
InChIKey
SDFNMLBCKQSQFN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
39.78
TPSA
50.44

LogP / Solubility

WLOGP
1.85
MLOGP
1.62
XLogP3
1.7
Consensus LogP
1.72
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.44
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)
-2.35

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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