CAS RN: 2456-73-7
INDOLE-3-ACETYL-L-ASPARTIC ACID PLANT
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250512 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS2456-73-7
- Purity/Analytical Methods: >99.0%
2456-73-7 / (2S)-2-[[2-(1H-indol-3-yl)acetyl]amino]butanedioic acid
Basic Information
CAS
2456-73-7
Multi CAS
No
Molecular Formula
C14H14N2O5
Molecular Weight
290.270000
Exact Mass
290.090272
SMILES
C1=CC=C2C(=C1)C(=CN2)CC(=O)N[C@@H](CC(=O)O)C(=O)O
InChI
InChI=1S/C14H14N2O5/c17-12(16-11(14(20)21)6-13(18)19)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6H2,(H,16,17)(H,18,19)(H,20,21)/t11-/m0/s1
InChIKey
VAFNMNRKDDAKRM-NSHDSACASA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
9
Fraction Csp3
0.21
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
4
Molar refractivity
73.82
TPSA
119.49
LogP / Solubility
WLOGP
0.75
MLOGP
0.67
XLogP3
0.3
Consensus LogP
0.57
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
Class (SILICOS-IT)
Moderately 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)
-3.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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