CAS RN: 834884-84-3
6-(4-(METHYLSULFONYL)PHENYL)-2-PYRIDINE&
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.20250125 | 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS834884-84-3
- Purity/Analytical Methods: >99.0%
834884-84-3 / 6-(4-methylsulfonylphenyl)pyridine-2-carbaldehyde
Basic Information
CAS
834884-84-3
Multi CAS
No
Molecular Formula
C13H11NO3S
Molecular Weight
261.300000
Exact Mass
261.045964
InChI
InChI=1S/C13H11NO3S/c1-18(16,17)12-7-5-10(6-8-12)13-4-2-3-11(9-15)14-13/h2-9H,1H3
InChIKey
QXKMSDYWZMIYDE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
68.17
TPSA
64.1
LogP / Solubility
WLOGP
1.96
MLOGP
1.74
XLogP3
1.5
Consensus LogP
1.73
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.92
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
1.5
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