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CAS 13341-77-0 5-acetylfuran-2-carboxylic acid molecular structure lightbox
CAS RN: 13341-77-0

5-acetylfuran-2-carboxylic acid

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250814 100mg In stock Shanghai Inquiry
Batchno.20250214 1g In stock Shanghai Inquiry
Batchno.20250204 250mg In stock Shanghai Inquiry
Batchno.20250331 50mg In stock Shanghai Inquiry
Batchno.20260605 50mg / 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
Batchno.20260108 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS13341-77-0
  • Purity/Analytical Methods: >99.0%
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13341-77-0 / 5-acetylfuran-2-carboxylic acid

Standard CAS: 13341-77-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13341-77-0
Multi CAS
No
Molecular Formula
C7H6O4
Molecular Weight
154.120000
Exact Mass
154.026609
SMILES
CC(=O)C1=CC=C(O1)C(=O)O
InChI
InChI=1S/C7H6O4/c1-4(8)5-2-3-6(11-5)7(9)10/h2-3H,1H3,(H,9,10)
InChIKey
MVLQSHUTWBHYIU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
35.67
TPSA
67.51

LogP / Solubility

WLOGP
1.18
MLOGP
1.03
XLogP3
0.9
Consensus LogP
1.04
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.88
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)
-2.82

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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