CAS RN: 55837-27-9
Piretanide
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260105 | 2mg | Out of stock | Inquiry |
- Product code: starshine_CAS55837-27-9
- Purity/Analytical Methods: >99.0%
55837-27-9 / 4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoylbenzoic acid
Basic Information
CAS
55837-27-9
Multi CAS
Yes
Molecular Formula
C17H18N2O5S
Molecular Weight
362.400000
Exact Mass
362.093643
InChI
InChI=1S/C17H18N2O5S/c18-25(22,23)15-11-12(17(20)21)10-14(19-8-4-5-9-19)16(15)24-13-6-2-1-3-7-13/h1-3,6-7,10-11H,4-5,8-9H2,(H,20,21)(H2,18,22,23)
InChIKey
UJEWTUDSLQGTOA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
92.74
TPSA
109.93
LogP / Solubility
WLOGP
2.42
MLOGP
2.15
XLogP3
2.2
Consensus LogP
2.26
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.63
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
![CAS 55843-91-9 4-IMIDAZO[1,2-A]PYRIDIN-2-YL-BENZONITRILE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/55843-91-9.gif)
