CAS RN: 27649-43-0
3-Phenyl-1H-pyrrole
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250717 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS27649-43-0
- Purity/Analytical Methods: >99.0%
27649-43-0 / 3-phenyl-1H-pyrrole
Basic Information
CAS
27649-43-0
Multi CAS
No
Molecular Formula
C10H9N
Molecular Weight
143.180000
Exact Mass
143.073499
InChI
InChI=1S/C10H9N/c1-2-4-9(5-3-1)10-6-7-11-8-10/h1-8,11H
InChIKey
LJDRAKFYYGCAQC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond donors
1
Molar refractivity
46.23
TPSA
15.79
LogP / Solubility
WLOGP
2.68
MLOGP
2.35
XLogP3
2.3
Consensus LogP
2.44
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.94
Class (SILICOS-IT)
Moderately 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)
-1.69
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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