[email protected]
CAS 20055-04-3 4-Methyl-2-phenyl-1H-pyrrole molecular structure lightbox
CAS RN: 20055-04-3

4-Methyl-2-phenyl-1H-pyrrole

  • Product code: SSC-094413
GET A QUOTE
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
  • Available purity: ≥95%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 20055-04-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Beijing Inquiry

20055-04-3 / 4-methyl-2-phenyl-1H-pyrrole

Standard CAS: 20055-04-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
20055-04-3
Multi CAS
No
Molecular Formula
C11H11N
Molecular Weight
157.210000
Exact Mass
157.089149
SMILES
CC1=CNC(=C1)C2=CC=CC=C2
InChI
InChI=1S/C11H11N/c1-9-7-11(12-8-9)10-5-3-2-4-6-10/h2-8,12H,1H3
InChIKey
YIAAMAHGPLMCJP-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
2.7
Consensus LogP
2.77
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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us