![CAS 191034-25-0 4-[3-(5-BROMO-2-PROPOXYPHENYL)-5-(4-CHLOROPHENYL)-1H-PYRROL-2-YL]PYRIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/191034-25-0.gif)
CAS RN: 191034-25-0
4-[3-(5-BROMO-2-PROPOXYPHENYL)-5-(4-CHLOROPHENYL)-1H-PYRROL-2-YL]PYRIDINE
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250207 | 10mg / 50mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS191034-25-0
- Purity/Analytical Methods: >99.0%
191034-25-0 / 4-[3-(5-bromo-2-propoxyphenyl)-5-(4-chlorophenyl)-1H-pyrrol-2-yl]pyridine
Basic Information
CAS
191034-25-0
Multi CAS
No
Molecular Formula
C24H20BrClN2O
Molecular Weight
467.800000
Exact Mass
466.044750
SMILES
CCCOC1=C(C=C(C=C1)Br)C2=C(NC(=C2)C3=CC=C(C=C3)Cl)C4=CC=NC=C4
InChI
InChI=1S/C24H20BrClN2O/c1-2-13-29-23-8-5-18(25)14-20(23)21-15-22(16-3-6-19(26)7-4-16)28-24(21)17-9-11-27-12-10-17/h3-12,14-15,28H,2,13H2,1H3
InChIKey
HHBOWXZOLYQFNY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
23
Fraction Csp3
0.12
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
123.39
TPSA
37.91
LogP / Solubility
WLOGP
7.62
MLOGP
6.73
XLogP3
6.8
Consensus LogP
7.05
Log S (ESOL)
-7.73
Class (ESOL)
Insoluble
Log S (Ali)
-8.89
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.74
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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