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CAS 73794-59-9 1H-Pyrrole,2-(3-methylphenyl)- molecular structure lightbox
CAS RN: 73794-59-9

1H-Pyrrole,2-(3-methylphenyl)-

  • Product code: SSC-183229
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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
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • 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 73794-59-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 2 In Stock Shenzhen Inquiry
0.25g ≥95% 2 In Stock Shenzhen Inquiry
1g ≥95% 2 In Stock Shenzhen Inquiry

73794-59-9 / 2-(3-methylphenyl)-1H-pyrrole

Standard CAS: 73794-59-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
73794-59-9
Multi CAS
Yes
Molecular Formula
C11H11N
Molecular Weight
157.210000
Exact Mass
157.089149
InChI
InChI=1S/C11H11N/c1-9-4-2-5-10(8-9)11-6-3-7-12-11/h2-8,12H,1H3
InChIKey
CUYOZAIYMLJJQY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
11
Fraction Csp3
0.09
Rotatable bonds
1
H-bond donors
1
Molar refractivity
50.97
TPSA
15.79

LogP / Solubility

WLOGP
2.99
MLOGP
2.63
XLogP3
2
Consensus LogP
2.54
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.28
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)
-1.56

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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