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CAS 24673-56-1 3-Methylbenzofuran-2-carboxylic Acid molecular structure lightbox
CAS RN: 24673-56-1

3-Methylbenzofuran-2-carboxylic Acid

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251204 5g / 25g / 100g Confirm by inquiry Shandong, Shanghai Inquiry
  • Product code: SSC-119599
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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: 25g
  • Available purity: ≥97%
  • 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 24673-56-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Beijing Inquiry

24673-56-1 / 3-methyl-1-benzofuran-2-carboxylic acid

Standard CAS: 24673-56-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24673-56-1
Multi CAS
No
Molecular Formula
C10H8O3
Molecular Weight
176.170000
Exact Mass
176.047344
SMILES
CC1=C(OC2=CC=CC=C12)C(=O)O
InChI
InChI=1S/C10H8O3/c1-6-7-4-2-3-5-8(7)13-9(6)10(11)12/h2-5H,1H3,(H,11,12)
InChIKey
YMZTUCZCQMQFMK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.91
TPSA
50.44

LogP / Solubility

WLOGP
2.44
MLOGP
2.14
XLogP3
2.5
Consensus LogP
2.36
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
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)
-2.06

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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