CAS RN: 57212-58-5
PYRIDOXYLIDENE-L-ISOLEUCINE POTASSIUM 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.20250704 | 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS57212-58-5
- Purity/Analytical Methods: >99.0%
57212-58-5 / (2S,3S)-2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]-3-methylpentanoic acid
Basic Information
CAS
57212-58-5
Multi CAS
Yes
Molecular Formula
C14H20N2O4
Molecular Weight
280.320000
Exact Mass
280.142307
InChI
InChI=1S/C14H20N2O4.K/c1-4-8(2)12(14(19)20)16-6-11-10(7-17)5-15-9(3)13(11)18;/h5-6,8,12,17-18H,4,7H2,1-3H3,(H,19,20);/q;+1/p-1/t8-,12-;/m0./s1
InChIKey
XSFPFDWBPBZUOO-DERRGAHOSA-M
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
3
Molar refractivity
75.03
TPSA
103.01
LogP / Solubility
WLOGP
1.51
MLOGP
1.34
XLogP3
1.1
Consensus LogP
1.32
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.45
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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