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CAS 52266-24-7 1,2-Dimethyl-4-phenyl-1H-pyrrole molecular structure lightbox
CAS RN: 52266-24-7

1,2-Dimethyl-4-phenyl-1H-pyrrole

  • Product code: SSC-159362
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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, 5g, 1g, 0.25g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 52266-24-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Hong Kong Inquiry
5g >95% 5 In Stock Beijing Inquiry
1g >95% 3 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry

52266-24-7 / 1,2-dimethyl-4-phenylpyrrole

Standard CAS: 52266-24-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
52266-24-7
Multi CAS
No
Molecular Formula
C12H13N
Molecular Weight
171.240000
Exact Mass
171.104799
InChI
InChI=1S/C12H13N/c1-10-8-12(9-13(10)2)11-6-4-3-5-7-11/h3-9H,1-2H3
InChIKey
ZTZCGMMFRYOVLW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
55.59
TPSA
4.93

LogP / Solubility

WLOGP
3
MLOGP
2.64
XLogP3
2.7
Consensus LogP
2.78
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.38
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)
-1.63

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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