CAS RN: 1173023-49-8
Pyridoxal-d3 Hydrochloride
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.20260616 | 1mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1173023-49-8
- Purity/Analytical Methods: >99.0%
1173023-49-8 / 3-hydroxy-5-(hydroxymethyl)-2-(trideuteriomethyl)pyridine-4-carbaldehyde;hydrochloride
Pyridoxal-d3 Hydrochloride | Pyridoxal-d3 HCl | Pyridoxal-d3 (hydrochloride)
Basic Information
CAS
1173023-49-8
Multi CAS
Yes
Molecular Formula
C8H10ClNO3
Molecular Weight
206.640000
Exact Mass
206.053751
SMILES
[2H]C([2H])([2H])C1=NC=C(C(=C1O)C=O)CO.Cl
InChI
InChI=1S/C8H9NO3.ClH/c1-5-8(12)7(4-11)6(3-10)2-9-5;/h2,4,10,12H,3H2,1H3;1H/i1D3;
InChIKey
FCHXJFJNDJXENQ-NIIDSAIPSA-N
Synonyms
Pyridoxal-d3 Hydrochloride
Pyridoxal-d3 HCl
Pyridoxal-d3 (hydrochloride)
3-hydroxy-5-(hydroxymethyl)-2-(trideuteriomethyl)pyridine-4-carbaldehyde;hydrochloride
3-hydroxy-5-(hydroxymethyl)-2-(?H?)methylpyridine-4-carbaldehyde hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
49.2
TPSA
70.42
LogP / Solubility
WLOGP
0.82
MLOGP
0.72
XLogP3
0.82
Consensus LogP
0.79
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.91
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)
-3.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 1173050-17-3 (2S,6S)-2,6-di-tert-butyl-1,2,3,5,6,7-hexahydroiMidazo[1,2-a]iMidazol-4-iuM iodide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1173050-17-3.gif)
