CAS RN: 487-79-6
KAINIC ACID
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.20251024 | 1ml | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS487-79-6
- Purity/Analytical Methods: >99.0%
487-79-6 / 3-(carboxymethyl)-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acid
Basic Information
CAS
487-79-6
Multi CAS
Yes
Molecular Formula
C10H15NO4
Molecular Weight
213.230000
Exact Mass
213.100108
InChI
InChI=1S/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)
InChIKey
VLSMHEGGTFMBBZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.6
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
53.47
TPSA
86.63
LogP / Solubility
WLOGP
0.33
MLOGP
0.29
XLogP3
-1.8
Consensus LogP
-0.39
Log S (ESOL)
-1.1
Class (ESOL)
Soluble
Log S (Ali)
-1.54
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.8
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
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)
-3.79
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
3
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