CAS RN: 184955-21-3
Dioxindolyl-L-alanine
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.20260113 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS184955-21-3
- Purity/Analytical Methods: >99.0%
184955-21-3 / (2S)-2-amino-3-(3-hydroxy-2-oxo-1H-indol-3-yl)propanoic acid
Basic Information
CAS
184955-21-3
Multi CAS
No
Molecular Formula
C11H12N2O4
Molecular Weight
236.220000
Exact Mass
236.079707
SMILES
C1=CC=C2C(=C1)C(C(=O)N2)(C[C@@H](C(=O)O)N)O
InChI
InChI=1S/C11H12N2O4/c12-7(9(14)15)5-11(17)6-3-1-2-4-8(6)13-10(11)16/h1-4,7,17H,5,12H2,(H,13,16)(H,14,15)/t7-,11?/m0/s1
InChIKey
BZRCOYDQHJWPQZ-RGENBBCFSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
4
Molar refractivity
59.2
TPSA
112.65
LogP / Solubility
WLOGP
-0.37
MLOGP
-0.32
XLogP3
-2.6
Consensus LogP
-1.1
Log S (ESOL)
-1.13
Class (ESOL)
Soluble
Log S (Ali)
-1.23
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.25
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)
-4.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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