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CAS 36131-46-1 ETHYL 5-NITRO-1H-PYRROLE-2-CARBOXYLATE molecular structure lightbox
CAS RN: 36131-46-1

ETHYL 5-NITRO-1H-PYRROLE-2-CARBOXYLATE

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251117 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250604 100mg In stock Shanghai Inquiry
Batchno.20250914 10g In stock Shanghai Inquiry
Batchno.20250328 1g In stock Shanghai Inquiry
Batchno.20260622 250mg In stock Shanghai Inquiry
Batchno.20260411 5g In stock Shanghai Inquiry
  • Product code: SSC-143249
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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: 0.1g, 0.25g, 1g, 5g
  • 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 36131-46-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 0 Out of Stock Shanghai Inquiry
0.25g >95% 0 Out of Stock Beijing Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry
5g >95% 0 Out of Stock Shanghai Inquiry

36131-46-1 / ethyl 5-nitro-1H-pyrrole-2-carboxylate

Standard CAS: 36131-46-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
36131-46-1
Multi CAS
No
Molecular Formula
C7H8N2O4
Molecular Weight
184.150000
Exact Mass
184.048407
InChI
InChI=1S/C7H8N2O4/c1-2-13-7(10)5-3-4-6(8-5)9(11)12/h3-4,8H,2H2,1H3
InChIKey
CVUNOXYEWWXPCU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
43.4
TPSA
85.23

LogP / Solubility

WLOGP
1.1
MLOGP
0.97
XLogP3
1.4
Consensus LogP
1.16
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.13
Class (SILICOS-IT)
Moderately 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)
-3.06

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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