CAS RN: 6099-08-7
H-GLY-TYR-GLY-OH
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.20260518 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS6099-08-7
- Purity/Analytical Methods: >99.0%
6099-08-7 / 2-[[2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetic acid
Basic Information
CAS
6099-08-7
Multi CAS
Yes
Molecular Formula
C13H17N3O5
Molecular Weight
295.290000
Exact Mass
295.116821
InChI
InChI=1S/C13H17N3O5/c14-6-11(18)16-10(13(21)15-7-12(19)20)5-8-1-3-9(17)4-2-8/h1-4,10,17H,5-7,14H2,(H,15,21)(H,16,18)(H,19,20)/t10-/m0/s1
InChIKey
HQSKKSLNLSTONK-JTQLQIEISA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.31
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
5
Molar refractivity
73.44
TPSA
141.75
LogP / Solubility
WLOGP
-1.42
MLOGP
-1.24
XLogP3
-3.4
Consensus LogP
-2.02
Log S (ESOL)
-0.53
Class (ESOL)
Very soluble
Log S (Ali)
-0.96
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.24
Class (SILICOS-IT)
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)
-5.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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