CAS RN: 1050-28-8
H-TYR-TYR-OH
Product Availability
Choose a grade to view its available package options.
6 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250123 | 25mg / 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS1050-28-8
- Purity/Analytical Methods: >99.0%
1050-28-8 / (2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
Tyrosyltyrosine | L-Tyrosyl-L-tyrosine | Tyr-tyr
Basic Information
CAS
1050-28-8
Multi CAS
Yes
Molecular Formula
C18H20N2O5
Molecular Weight
344.400000
Exact Mass
344.137222
SMILES
C1=CC(=CC=C1C[C@@H](C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)O)N)O
InChI
InChI=1S/C18H20N2O5/c19-15(9-11-1-5-13(21)6-2-11)17(23)20-16(18(24)25)10-12-3-7-14(22)8-4-12/h1-8,15-16,21-22H,9-10,19H2,(H,20,23)(H,24,25)/t15-,16-/m0/s1
InChIKey
JAQGKXUEKGKTKX-HOTGVXAUSA-N
Synonyms
Tyrosyltyrosine
L-Tyrosyl-L-tyrosine
Tyr-tyr
Peptide tyrosine-tyrosine
CHEBI:60989
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.22
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
5
Molar refractivity
91.16
TPSA
132.88
LogP / Solubility
WLOGP
0.78
MLOGP
0.7
XLogP3
-1.9
Consensus LogP
-0.14
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.39
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
Low
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)
-4.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
