CAS RN: 6525-46-8
5-NITRO-DL-TRYPTOPHAN
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.20250410 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS6525-46-8
- Purity/Analytical Methods: >99.0%
6525-46-8 / (2S)-2-amino-3-(5-nitro-1H-indol-3-yl)propanoic acid
Basic Information
CAS
6525-46-8
Multi CAS
Yes
Molecular Formula
C11H11N3O4
Molecular Weight
249.220000
Exact Mass
249.074956
InChI
InChI=1S/C11H11N3O4/c12-9(11(15)16)3-6-5-13-10-2-1-7(14(17)18)4-8(6)10/h1-2,4-5,9,13H,3,12H2,(H,15,16)
InChIKey
XKDUODGOACYEEU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
3
Molar refractivity
64.27
TPSA
122.25
LogP / Solubility
WLOGP
1.03
MLOGP
0.91
XLogP3
-1
Consensus LogP
0.31
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
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)
-3.51
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
2
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