![CAS 128949-52-0 Pyridine, 2-[[(R)-(4-methylphenyl)sulfinyl]methyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/128949-52-0.gif)
CAS RN: 128949-52-0
Pyridine, 2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-
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.20251018 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS128949-52-0
- Purity/Analytical Methods: >99.0%
128949-52-0 / 2-[[(R)-(4-methylphenyl)sulfinyl]methyl]pyridine
Basic Information
CAS
128949-52-0
Multi CAS
No
Molecular Formula
C13H13NOS
Molecular Weight
231.320000
Exact Mass
231.071785
SMILES
CC1=CC=C(C=C1)[S@](=O)CC2=CC=CC=N2
InChI
InChI=1S/C13H13NOS/c1-11-5-7-13(8-6-11)16(15)10-12-4-2-3-9-14-12/h2-9H,10H2,1H3
InChIKey
FLMKPKKHAAJSED-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.15
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
65.53
TPSA
29.96
LogP / Solubility
WLOGP
2.7
MLOGP
2.38
XLogP3
2
Consensus LogP
2.36
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.76
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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