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CAS 22106-37-2 1-(4-PYRROL-1-YL-PHENYL)-ETHANONE molecular structure lightbox
CAS RN: 22106-37-2

1-(4-PYRROL-1-YL-PHENYL)-ETHANONE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250910 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-106347
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 8
  • 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 22106-37-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 1 In Stock Hong Kong Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g -- 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
1g -- 1 In Stock Beijing Inquiry
1g >95% 1 In Stock Hong Kong Inquiry
5g -- 1 In Stock Beijing Inquiry
5g >95% 1 In Stock Beijing Inquiry

22106-37-2 / 1-(4-pyrrol-1-ylphenyl)ethanone

Standard CAS: 22106-37-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22106-37-2
Multi CAS
No
Molecular Formula
C12H11NO
Molecular Weight
185.220000
Exact Mass
185.084064
SMILES
CC(=O)C1=CC=C(C=C1)N2C=CC=C2
InChI
InChI=1S/C12H11NO/c1-10(14)11-4-6-12(7-5-11)13-8-2-3-9-13/h2-9H,1H3
InChIKey
DXDGPUOOPJCGOL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
55.77
TPSA
22

LogP / Solubility

WLOGP
2.68
MLOGP
2.36
XLogP3
2.8
Consensus LogP
2.61
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.33
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.95

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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