CAS RN: 7451-73-2
CYCLO(-GLY-TRP)
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251128 | 50mg / 250mg / 1g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS7451-73-2
- Purity/Analytical Methods: >99.0%
7451-73-2 / 3-(1H-indol-3-ylmethyl)piperazine-2,5-dione
Basic Information
CAS
7451-73-2
Multi CAS
Yes
Molecular Formula
C13H13N3O2
Molecular Weight
243.260000
Exact Mass
243.100777
InChI
InChI=1S/C13H13N3O2/c17-12-7-15-13(18)11(16-12)5-8-6-14-10-4-2-1-3-9(8)10/h1-4,6,11,14H,5,7H2,(H,15,18)(H,16,17)/t11-/m0/s1
InChIKey
IFQZEERDQXQTLJ-NSHDSACASA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.23
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
3
Molar refractivity
66.94
TPSA
73.99
LogP / Solubility
WLOGP
0.32
MLOGP
0.29
XLogP3
0.8
Consensus LogP
0.47
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-1.79
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.75
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.97
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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