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CAS 487-56-9 4-Hydroxybenzofuran-5-Carboxylic Acid molecular structure lightbox
CAS RN: 487-56-9

4-Hydroxybenzofuran-5-Carboxylic Acid

  • Product code: SSC-155368
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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 487-56-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

487-56-9 / 4-hydroxy-1-benzofuran-5-carboxylic acid

Standard CAS: 487-56-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
487-56-9
Multi CAS
No
Molecular Formula
C9H6O4
Molecular Weight
178.140000
Exact Mass
178.026609
InChI
InChI=1S/C9H6O4/c10-8-5-3-4-13-7(5)2-1-6(8)9(11)12/h1-4,10H,(H,11,12)
InChIKey
UCRGNGLRQIWOTB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
44.84
TPSA
70.67

LogP / Solubility

WLOGP
1.84
MLOGP
1.61
XLogP3
2
Consensus LogP
1.82
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.5

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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