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CAS 1073-26-3 2-PROPIONYLPYRROLE molecular structure lightbox
CAS RN: 1073-26-3

2-PROPIONYLPYRROLE

  • Product code: SSC-008837
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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: ≥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 1073-26-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry

1073-26-3 / 1-(1H-pyrrol-2-yl)propan-1-one

2-Propionylpyrrole | 1-(1H-Pyrrol-2-yl)propan-1-one | Ethyl 2-pyrrolyl ketone

Standard CAS: 1073-26-3 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1073-26-3
Multi CAS
Yes
Molecular Formula
C7H9NO
Molecular Weight
123.150000
Exact Mass
123.068414
SMILES
CCC(=O)C1=CC=CN1
InChI
InChI=1S/C7H9NO/c1-2-7(9)6-4-3-5-8-6/h3-5,8H,2H2,1H3
InChIKey
AEJPPSRYXGEVDT-UHFFFAOYSA-N
Synonyms
2-Propionylpyrrole 1-(1H-Pyrrol-2-yl)propan-1-one Ethyl 2-pyrrolyl ketone 2-Pyrryl ethyl ketone alpha-Propionylpyrrole

Physical Properties

Physical Description
White crystalline solid; Rubbur, leathery, quinoline-type aroma
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
35.41
TPSA
32.86

LogP / Solubility

WLOGP
1.61
MLOGP
1.41
XLogP3
1.4
Consensus LogP
1.47
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-1.73
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.03
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)
-2.33

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 89 of 95 companies (only 6.3% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

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