CAS RN: 13934-03-7
PYRIDOXYLIDENE-L-GLUTAMIC ACID DIPOTASSIUM SALT
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.20251215 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS13934-03-7
- Purity/Analytical Methods: >99.0%
13934-03-7 / (2S)-2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]pentanedioic acid
Basic Information
CAS
13934-03-7
Multi CAS
No
Molecular Formula
C13H16N2O6
Molecular Weight
296.280000
Exact Mass
296.100836
SMILES
CC1=NC=C(C(=C1O)C=N[C@@H](CCC(=O)O)C(=O)O)CO
InChI
InChI=1S/C13H16N2O6/c1-7-12(19)9(8(6-16)4-14-7)5-15-10(13(20)21)2-3-11(17)18/h4-5,10,16,19H,2-3,6H2,1H3,(H,17,18)(H,20,21)/t10-/m0/s1
InChIKey
KDIGYCWRAAYWTQ-JTQLQIEISA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
4
Molar refractivity
72.45
TPSA
140.31
LogP / Solubility
WLOGP
0.32
MLOGP
0.3
XLogP3
-0.8
Consensus LogP
-0.06
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
![CAS 13936-48-6 3,8-Dimethyl-1,2,4-triazolo[4,3-a]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/13936-48-6.gif)
