CAS RN: 314062-44-7
5-HYDROXY-L-TRYPTOPHAN
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.20260602 | 5g / 25g / 100g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS314062-44-7
- Purity/Analytical Methods: >99.0%
314062-44-7 / 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
Basic Information
CAS
314062-44-7
Multi CAS
Yes
Molecular Formula
C11H12N2O3
Molecular Weight
220.220000
Exact Mass
220.084792
InChI
InChI=1S/C11H12N2O3.H2O/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10;/h1-2,4-5,9,13-14H,3,12H2,(H,15,16);1H2/t9-;/m0./s1
InChIKey
UIHHMHBYEZJGNC-FVGYRXGTSA-N
Physical Properties
Melting Point
298-300 °C (decomposes)
MP: 273 °C (decomposes); specific optical rotation: +16.0 deg at 22 °C (c=1 in 4M HCl); -32 deg at 22 °C (c=1 in H2O) /(S)-5-Hydroxytryptophan/
Appearance
Minute rods or needles from ethanol
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
-1.2
Consensus LogP
0.12
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
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