CAS RN: 268221-76-7
CYCLO(-ALA-GLN)
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.20250411 | 10mg / 50mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS268221-76-7
- Purity/Analytical Methods: >99.0%
268221-76-7 / 3-[(2S,5S)-5-methyl-3,6-dioxopiperazin-2-yl]propanamide
Basic Information
CAS
268221-76-7
Multi CAS
No
Molecular Formula
C8H13N3O3
Molecular Weight
199.210000
Exact Mass
199.095691
SMILES
C[C@H]1C(=O)N[C@H](C(=O)N1)CCC(=O)N
InChI
InChI=1S/C8H13N3O3/c1-4-7(13)11-5(8(14)10-4)2-3-6(9)12/h4-5H,2-3H2,1H3,(H2,9,12)(H,10,14)(H,11,13)/t4-,5-/m0/s1
InChIKey
PNSKRAHOHQWAAN-WHFBIAKZSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.62
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
47.96
TPSA
101.29
LogP / Solubility
WLOGP
-1.74
MLOGP
-1.54
XLogP3
-1.7
Consensus LogP
-1.66
Log S (ESOL)
0.22
Class (ESOL)
Highly soluble
Log S (Ali)
0.07
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.13
Class (SILICOS-IT)
Highly 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)
-5.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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