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CAS 21984-93-0 5-METHYLFURAN-3-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 21984-93-0

5-METHYLFURAN-3-CARBOXYLIC ACID

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250426 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-105750
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 21984-93-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

21984-93-0 / 5-methylfuran-3-carboxylic acid

Standard CAS: 21984-93-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21984-93-0
Multi CAS
No
Molecular Formula
C6H6O3
Molecular Weight
126.110000
Exact Mass
126.031694
SMILES
CC1=CC(=CO1)C(=O)O
InChI
InChI=1S/C6H6O3/c1-4-2-5(3-9-4)6(7)8/h2-3H,1H3,(H,7,8)
InChIKey
MDVRXWAAVDTLFJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
30.4
TPSA
50.44

LogP / Solubility

WLOGP
1.29
MLOGP
1.12
XLogP3
0.9
Consensus LogP
1.1
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-1.52
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.67
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)
-2.58

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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