![CAS 260441-69-8 1-[[(E)-2-PHENYLVINYL]SULFONYL]PIPERIDINE-4-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/260441-69-8.gif)
CAS RN: 260441-69-8
1-[[(E)-2-PHENYLVINYL]SULFONYL]PIPERIDINE-4-CARBOXYLIC ACID
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250831 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS260441-69-8
- Purity/Analytical Methods: >99.0%
260441-69-8 / 1-(2-phenylethenylsulfonyl)piperidine-4-carboxylic acid
Basic Information
CAS
260441-69-8
Multi CAS
No
Molecular Formula
C14H17NO4S
Molecular Weight
295.360000
Exact Mass
295.087829
SMILES
C1CN(CCC1C(=O)O)S(=O)(=O)C=CC2=CC=CC=C2
InChI
InChI=1S/C14H17NO4S/c16-14(17)13-6-9-15(10-7-13)20(18,19)11-8-12-4-2-1-3-5-12/h1-5,8,11,13H,6-7,9-10H2,(H,16,17)/b11-8+
InChIKey
LAFAILDKFOBJFF-DHZHZOJOSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
76.33
TPSA
74.68
LogP / Solubility
WLOGP
1.78
MLOGP
1.58
XLogP3
1.5
Consensus LogP
1.62
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.54
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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