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CAS 1179362-83-4 5-(ethoxycarbonyl)-1H-pyrrole-3-carboxylic acid molecular structure lightbox
CAS RN: 1179362-83-4

5-(ethoxycarbonyl)-1H-pyrrole-3-carboxylic acid

Product Availability

Choose a grade to view its available package options.

7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260618 1g In stock Inquiry
Batchno.20250830 250mg In stock Inquiry
Batchno.20260402 50mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251111 100mg In stock Shanghai Inquiry
Batchno.20260517 1g In stock Shanghai Inquiry
Batchno.20260611 250mg In stock Shanghai Inquiry
Batchno.20250117 50mg In stock Shanghai Inquiry
  • Product code: SSC-017793
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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 1179362-83-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

1179362-83-4 / 5-ethoxycarbonyl-1H-pyrrole-3-carboxylic acid

5-(ethoxycarbonyl)-1H-pyrrole-3-carboxylic acid | 5-ethoxycarbonyl-1H-pyrrole-3-carboxylic acid | MFCD12547494

Standard CAS: 1179362-83-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1179362-83-4
Multi CAS
No
Molecular Formula
C8H9NO4
Molecular Weight
183.160000
Exact Mass
183.053158
SMILES
CCOC(=O)C1=CC(=CN1)C(=O)O
InChI
InChI=1S/C8H9NO4/c1-2-13-8(12)6-3-5(4-9-6)7(10)11/h3-4,9H,2H2,1H3,(H,10,11)
InChIKey
RRZIOLWMBUEIMP-UHFFFAOYSA-N
Synonyms
5-(ethoxycarbonyl)-1H-pyrrole-3-carboxylic acid 5-ethoxycarbonyl-1H-pyrrole-3-carboxylic acid MFCD12547494 5-(ethoxycarbonyl)-1H-pyrrole-3-carboxylicacid 1H-Pyrrole-2,4-dicarboxylic acid 2-ethyl ester

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
43.71
TPSA
79.39

LogP / Solubility

WLOGP
0.89
MLOGP
0.78
XLogP3
0.8
Consensus LogP
0.82
Log S (ESOL)
-1.62
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.95
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.21

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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