CAS RN: 1185314-07-1
3-Acetyl-6-(methyl-d3)-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.20250524 | 5mg / 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1185314-07-1
- Purity/Analytical Methods: >99.0%
1185314-07-1 / 1-[6-(trideuteriomethyl)-3-pyridinyl]ethanone
3-Acetyl-6-(methyl-d3)-pyridine | 3-Acetyl-6-(methyl-d3)pyridine | AKOS015944266
Basic Information
CAS
1185314-07-1
Multi CAS
No
Molecular Formula
C8H9NO
Molecular Weight
138.180000
Exact Mass
138.087244
SMILES
[2H]C([2H])([2H])C1=NC=C(C=C1)C(=O)C
InChI
InChI=1S/C8H9NO/c1-6-3-4-8(5-9-6)7(2)10/h3-5H,1-2H3/i1D3
InChIKey
PVRYOKQFLBSILA-FIBGUPNXSA-N
Synonyms
3-Acetyl-6-(methyl-d3)-pyridine
3-Acetyl-6-(methyl-d3)pyridine
AKOS015944266
CS-17691
F92442
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
38.98
TPSA
29.96
LogP / Solubility
WLOGP
1.59
MLOGP
1.39
XLogP3
0.9
Consensus LogP
1.29
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.98
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)
-2.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 1185317-13-8 2-[(Piperidin-4-ylMethyl)-aMino]-nicotinic acid Methyl ester coMpoundwith trifluoro-acetic acid, 98+% C15H20F3N3O4, MW: 363.34 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1185317-13-8.gif)
