CAS RN: 1185315-05-2
3-Hydroxy-2-Methylpyridine-d3
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.20251023 | 5mg / 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1185315-05-2
- Purity/Analytical Methods: >99.0%
1185315-05-2 / 2-(trideuteriomethyl)pyridin-3-ol
3-Hydroxy-2-methylpyridine-d3 | 2-(trideuteriomethyl)pyridin-3-ol | 3-Hydroxy-2-(methyl-d3)-pyridine
Basic Information
CAS
1185315-05-2
Multi CAS
Yes
Molecular Formula
C6H7NO
Molecular Weight
112.140000
Exact Mass
112.071594
SMILES
[2H]C([2H])([2H])C1=C(C=CC=N1)O
InChI
InChI=1S/C6H7NO/c1-5-6(8)3-2-4-7-5/h2-4,8H,1H3/i1D3
InChIKey
AQSRRZGQRFFFGS-FIBGUPNXSA-N
Synonyms
3-Hydroxy-2-methylpyridine-d3
2-(trideuteriomethyl)pyridin-3-ol
3-Hydroxy-2-(methyl-d3)-pyridine
2-(~2~H_3_)Methylpyridin-3-ol
DTXSID10671260
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
2
H-bond donors
1
Molar refractivity
30.64
TPSA
33.12
LogP / Solubility
WLOGP
1.1
MLOGP
0.95
XLogP3
0.9
Consensus LogP
0.98
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-1.25
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.28
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)
-2.61
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)
