![CAS 597583-07-8 4-[[(1-propyl-1H-imidazol-5-yl)methyl]sulfinyl]Benzenamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/597583-07-8.gif)
CAS RN: 597583-07-8
4-[[(1-propyl-1H-imidazol-5-yl)methyl]sulfinyl]Benzenamine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260129 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS597583-07-8
- Purity/Analytical Methods: >99.0%
597583-07-8 / 4-[(3-propylimidazol-4-yl)methylsulfinyl]aniline
Basic Information
CAS
597583-07-8
Multi CAS
Yes
Molecular Formula
C13H17N3OS
Molecular Weight
263.360000
Exact Mass
263.109233
InChI
InChI=1S/C13H17N3OS/c1-2-7-16-10-15-8-12(16)9-18(17)13-5-3-11(14)4-6-13/h3-6,8,10H,2,7,9,14H2,1H3
InChIKey
QPYRLSBRGMJDHW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.31
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
73.48
TPSA
60.91
LogP / Solubility
WLOGP
2.18
MLOGP
1.93
XLogP3
0.9
Consensus LogP
1.67
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.78
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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