CAS RN: 2147-61-7
3-HYDROXY-DL-KYNURENINE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250220 | 5mg / 25mg | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS2147-61-7
- Purity/Analytical Methods: >99.0%
2147-61-7 / 2-amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid
Basic Information
CAS
2147-61-7
Multi CAS
No
Molecular Formula
C10H12N2O4
Molecular Weight
224.210000
Exact Mass
224.079707
SMILES
C1=CC(=C(C(=C1)O)N)C(=O)CC(C(=O)O)N
InChI
InChI=1S/C10H12N2O4/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,13H,4,11-12H2,(H,15,16)
InChIKey
VCKPUUFAIGNJHC-UHFFFAOYSA-N
Physical Properties
Melting Point
217 °C
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
4
Molar refractivity
57.08
TPSA
126.64
LogP / Solubility
WLOGP
-0.04
MLOGP
-0.03
XLogP3
-2.5
Consensus LogP
-0.86
Log S (ESOL)
-1.22
Class (ESOL)
Soluble
Log S (Ali)
-1.37
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.56
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)
-4.12
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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