CAS RN: 52661-98-0
CYCLO(-GLY-SER)
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.20260613 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS52661-98-0
- Purity/Analytical Methods: >99.0%
52661-98-0 / 3-(hydroxymethyl)piperazine-2,5-dione
Basic Information
CAS
52661-98-0
Multi CAS
Yes
Molecular Formula
C5H8N2O3
Molecular Weight
144.130000
Exact Mass
144.053492
InChI
InChI=1S/C5H8N2O3/c8-2-3-5(10)6-1-4(9)7-3/h3,8H,1-2H2,(H,6,10)(H,7,9)/t3-/m0/s1
InChIKey
MOWMPSYJSYTSSM-VKHMYHEASA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
32.03
TPSA
78.43
LogP / Solubility
WLOGP
-2.41
MLOGP
-2.12
XLogP3
-1.4
Consensus LogP
-1.98
Log S (ESOL)
0.85
Class (ESOL)
Highly soluble
Log S (Ali)
1
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.28
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)
-5.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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