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CAS 19867-89-1 2-(4-CHLORO-PHENYL)-1H-PYRROLE molecular structure lightbox
CAS RN: 19867-89-1

2-(4-CHLORO-PHENYL)-1H-PYRROLE

  • Product code: SSC-093604
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 19867-89-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

19867-89-1 / 2-(4-chlorophenyl)-1H-pyrrole

Standard CAS: 19867-89-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19867-89-1
Multi CAS
No
Molecular Formula
C10H8ClN
Molecular Weight
177.630000
Exact Mass
177.034527
SMILES
C1=CNC(=C1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C10H8ClN/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h1-7,12H
InChIKey
BSJURRCNZZFQBW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond donors
1
Molar refractivity
51.24
TPSA
15.79

LogP / Solubility

WLOGP
3.34
MLOGP
2.93
XLogP3
2.3
Consensus LogP
2.86
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.42
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.7
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)
-1.44

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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