CAS RN: 1780013-94-6
6-(Methylsulfonyl)picolinaldehyde
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.20260602 | 50mg / 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1780013-94-6
- Purity/Analytical Methods: >99.0%
1780013-94-6 / 6-methylsulfonylpyridine-2-carbaldehyde
Basic Information
CAS
1780013-94-6
Multi CAS
No
Molecular Formula
C7H7NO3S
Molecular Weight
185.200000
Exact Mass
185.014664
SMILES
CS(=O)(=O)C1=CC=CC(=N1)C=O
InChI
InChI=1S/C7H7NO3S/c1-12(10,11)7-4-2-3-6(5-9)8-7/h2-5H,1H3
InChIKey
IDQUTIILZUWXIF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
42.73
TPSA
64.1
LogP / Solubility
WLOGP
0.3
MLOGP
0.26
XLogP3
0.2
Consensus LogP
0.25
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-1.29
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.35
Class (SILICOS-IT)
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)
-3.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 1780051-70-8 6-chloro-2,3-dimethyl-3H-imidazo[4,5-c]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1780051-70-8.gif)
