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CAS 603999-19-5 3-Furancarboxylic acid, 5-formyl- (9CI) molecular structure lightbox
CAS RN: 603999-19-5

3-Furancarboxylic acid, 5-formyl- (9CI)

  • Product code: SSC-168978
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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 603999-19-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

603999-19-5 / 5-formylfuran-3-carboxylic acid

Standard CAS: 603999-19-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
603999-19-5
Multi CAS
No
Molecular Formula
C6H4O4
Molecular Weight
140.090000
Exact Mass
140.010959
InChI
InChI=1S/C6H4O4/c7-2-5-1-4(3-10-5)6(8)9/h1-3H,(H,8,9)
InChIKey
IRYKMSRWDXXLJL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
31.05
TPSA
67.51

LogP / Solubility

WLOGP
0.79
MLOGP
0.69
XLogP3
0.3
Consensus LogP
0.59
Log S (ESOL)
-1.44
Class (ESOL)
Soluble
Log S (Ali)
-1.28
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.47
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)
-3.01

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
1.5

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