Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.05g, 0.1g, 0.25g
- Available purity: >95%
- Inventory rows with stock: 1
- Bulk packaging: confirmed by inquiry
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Recorded sizes, purity and stock details for CAS 25242-90-4
| Pack Size |
Recorded Purity |
Available Qty |
Ship From |
Inquiry |
| 0.05g |
>95% |
1
In Stock
|
Hong Kong |
Inquiry |
| 0.1g |
>95% |
0
Out of Stock
|
Shenzhen |
Inquiry |
| 0.25g |
>95% |
0
Out of Stock
|
Hong Kong |
Inquiry |
25242-90-4 / (2S)-2-amino-3-(4-hydroxy-1H-indol-3-yl)propanoic acid
Standard CAS: 25242-90-4
Multi CAS: No
Basic Information
CAS
25242-90-4
Multi CAS
No
Molecular Formula
C11H12N2O3
Molecular Weight
220.220000
Exact Mass
220.084792
SMILES
C1=CC2=C(C(=C1)O)C(=CN2)C[C@@H](C(=O)O)N
InChI
InChI=1S/C11H12N2O3/c12-7(11(15)16)4-6-5-13-8-2-1-3-9(14)10(6)8/h1-3,5,7,13-14H,4,12H2,(H,15,16)/t7-/m0/s1
InChIKey
QSHLMQDRPXXYEE-ZETCQYMHSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
4
Molar refractivity
59.28
TPSA
99.34
LogP / Solubility
WLOGP
0.83
MLOGP
0.73
XLogP3
-1.5
Consensus LogP
0.02
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.14
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)
-3.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2