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CAS 1123725-69-8 Ethyl 3-Cyclopropylpyrrole-2-carboxylate molecular structure lightbox
CAS RN: 1123725-69-8

Ethyl 3-Cyclopropylpyrrole-2-carboxylate

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260311 1g In stock Shanghai Inquiry
Batchno.20260212 250mg In stock Shenzhen, Wuhan Inquiry
Batchno.20251111 5g Out of stock Inquiry
  • Product code: SSC-012802
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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: 0.25g, 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 1123725-69-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 0 Out of Stock Beijing Inquiry
1g >95% 0 Out of Stock Beijing Inquiry
5g >95% 0 Out of Stock Hong Kong Inquiry

1123725-69-8 / ethyl 3-cyclopropyl-1H-pyrrole-2-carboxylate

Ethyl 3-cyclopropyl-1H-pyrrole-2-carboxylate | Ethyl 3-Cyclopropylpyrrole-2-carboxylate | MFCD12924310

Standard CAS: 1123725-69-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1123725-69-8
Multi CAS
No
Molecular Formula
C10H13NO2
Molecular Weight
179.220000
Exact Mass
179.094629
SMILES
CCOC(=O)C1=C(C=CN1)C2CC2
InChI
InChI=1S/C10H13NO2/c1-2-13-10(12)9-8(5-6-11-9)7-3-4-7/h5-7,11H,2-4H2,1H3
InChIKey
ROKRDQDLLBXZRX-UHFFFAOYSA-N
Synonyms
Ethyl 3-cyclopropyl-1H-pyrrole-2-carboxylate Ethyl 3-Cyclopropylpyrrole-2-carboxylate MFCD12924310 3-Cyclopropyl-1H-pyrrole-2-carboxylic acid ethyl ester SCHEMBL15559031

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
48.72
TPSA
42.09

LogP / Solubility

WLOGP
2.07
MLOGP
1.82
XLogP3
2.2
Consensus LogP
2.03
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.34

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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