![CAS 6435-78-5 1-[(4-methylphenyl)sulfonyl]pyrrolidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/6435-78-5.gif)
CAS RN: 6435-78-5
1-[(4-methylphenyl)sulfonyl]pyrrolidine
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.20250103 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS6435-78-5
- Purity/Analytical Methods: >99.0%
6435-78-5 / 1-(4-methylphenyl)sulfonylpyrrolidine
Basic Information
CAS
6435-78-5
Multi CAS
Yes
Molecular Formula
C11H15NO2S
Molecular Weight
225.310000
Exact Mass
225.082350
InChI
InChI=1S/C11H15NO2S/c1-10-4-6-11(7-5-10)15(13,14)12-8-2-3-9-12/h4-7H,2-3,8-9H2,1H3
InChIKey
KDWPQSBXEHQMSD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
59.17
TPSA
37.38
LogP / Solubility
WLOGP
1.78
MLOGP
1.57
XLogP3
1.9
Consensus LogP
1.75
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.84
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
