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CAS 1229035-74-8 2-(3,5-Difluorophenyl)pyrrole molecular structure lightbox
CAS RN: 1229035-74-8

2-(3,5-Difluorophenyl)pyrrole

  • Product code: SSC-026608
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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: 0.05g, 0.1g, 0.25g
  • 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 1229035-74-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g ≥95% 1 In Stock Shenzhen Inquiry
0.1g ≥95% 1 In Stock Shenzhen Inquiry
0.25g ≥95% 1 In Stock Beijing Inquiry

1229035-74-8 / 2-(3,5-difluorophenyl)-1H-pyrrole

Standard CAS: 1229035-74-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1229035-74-8
Multi CAS
No
Molecular Formula
C10H7F2N
Molecular Weight
179.170000
Exact Mass
179.054656
SMILES
C1=CNC(=C1)C2=CC(=CC(=C2)F)F
InChI
InChI=1S/C10H7F2N/c11-8-4-7(5-9(12)6-8)10-2-1-3-13-10/h1-6,13H
InChIKey
VBPCFGRIOWCUFP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.14
TPSA
15.79

LogP / Solubility

WLOGP
2.96
MLOGP
2.6
XLogP3
2.6
Consensus LogP
2.72
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.4
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)
-1.71

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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