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CAS 26171-23-3 1-Methyl-5-p-toluoylpyrrole-2-acetic acid molecular structure lightbox
CAS RN: 26171-23-3

1-Methyl-5-p-toluoylpyrrole-2-acetic acid

Product Availability

Choose a grade to view its available package options.

11 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260505 10g Out of stock Inquiry
Batchno.20250121 1g In stock Tianjin Inquiry
Batchno.20251102 1mg In stock Shanghai, Wuhan Inquiry
Batchno.20250514 250mg Out of stock Inquiry
Batchno.20260119 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
Batchno.20260619 25g Out of stock Inquiry
Batchno.20260308 25mg In stock Shanghai Inquiry
Batchno.20250702 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250802 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250424 25g In stock Shanghai, Chengdu Inquiry
Batchno.20260222 5g In stock Shanghai Inquiry
  • Product code: SSC-123163
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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 26171-23-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

26171-23-3 / 2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetic acid

Standard CAS: 26171-23-3 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
26171-23-3
Multi CAS
No
Molecular Formula
C15H15NO3
Molecular Weight
257.280000
Exact Mass
257.105193
SMILES
CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC(=O)O
InChI
InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18/h3-8H,9H2,1-2H3,(H,17,18)
InChIKey
UPSPUYADGBWSHF-UHFFFAOYSA-N

Physical Properties

Melting Point
155-157 °C (DECOMPOSES) 156 °C
Physical Description
Solid
Appearance
CRYSTALS FROM ACETONITRILE
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
11
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
71.36
TPSA
59.3

LogP / Solubility

WLOGP
2.19
MLOGP
1.94
XLogP3
2.8
Consensus LogP
2.31
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.63
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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