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CAS 1072-83-9 2-Acetylpyrrole molecular structure lightbox
CAS RN: 1072-83-9

2-Acetylpyrrole

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11 package records10 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260419 100g In stock Inquiry
Batchno.20250526 1g In stock Inquiry
Batchno.20251023 25g In stock Inquiry
Batchno.20260425 500g In stock Inquiry
Batchno.20250912 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250418 100g In stock Shanghai, Guangdong Inquiry
Batchno.20250115 1g In stock Shanghai, Chongqing Inquiry
Batchno.20260321 25g In stock Shanghai, Shandong, Chongqing Inquiry
Batchno.20251005 500g In stock Shanghai Inquiry
Batchno.20260421 5g In stock Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250105 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-008667
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 10g, 25g, 100g
  • Available purity: ≥98%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1072-83-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 1 In Stock Shanghai Inquiry
10g ≥98% 0 Out of Stock Beijing Inquiry
25g ≥98% 0 Out of Stock Beijing Inquiry
100g ≥98% 0 Out of Stock Shanghai Inquiry

1072-83-9 / 1-(1H-pyrrol-2-yl)ethanone

2-ACETYLPYRROLE | 1-(1H-Pyrrol-2-yl)ethanone | 1-(1H-Pyrrol-2-yl)ethan-1-one

Standard CAS: 1072-83-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1072-83-9
Multi CAS
Yes
Molecular Formula
C6H7NO
Molecular Weight
109.130000
Exact Mass
109.052764
SMILES
CC(=O)C1=CC=CN1
InChI
InChI=1S/C6H7NO/c1-5(8)6-3-2-4-7-6/h2-4,7H,1H3
InChIKey
IGJQUJNPMOYEJY-UHFFFAOYSA-N
Synonyms
2-ACETYLPYRROLE 1-(1H-Pyrrol-2-yl)ethanone 1-(1H-Pyrrol-2-yl)ethan-1-one Ethanone, 1-(1H-pyrrol-2-yl)- 2-Pyrrolylethanone

Physical Properties

Melting Point
90 °C
Boiling Point
220.00 °C. @ 760.00 mm Hg
Physical Description
Solid Light beige to yellowish fine crystals; Bready, walnut, licorice-like aroma
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
30.8
TPSA
32.86

LogP / Solubility

WLOGP
1.22
MLOGP
1.06
XLogP3
0.9
Consensus LogP
1.06
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-1.33
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.5
Class (SILICOS-IT)
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)
-2.52

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

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (97.4%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement Codes
P264, P280, P302+P352, P321, P332+P317, and P362+P364

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