CAS RN: 1240584-74-0
(S)-6-Oxopiperazine-2-carboxylic acid
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260216 | 1g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1240584-74-0
- Purity/Analytical Methods: >99.0%
1240584-74-0 / (2S)-6-oxopiperazine-2-carboxylic acid
Basic Information
CAS
1240584-74-0
Multi CAS
No
Molecular Formula
C5H8N2O3
Molecular Weight
144.130000
Exact Mass
144.053492
SMILES
C1[C@H](NC(=O)CN1)C(=O)O
InChI
InChI=1S/C5H8N2O3/c8-4-2-6-1-3(7-4)5(9)10/h3,6H,1-2H2,(H,7,8)(H,9,10)/t3-/m0/s1
InChIKey
YFTIUIRRLXUUIK-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
32.44
TPSA
78.43
LogP / Solubility
WLOGP
-1.84
MLOGP
-1.63
XLogP3
-3.7
Consensus LogP
-2.39
Log S (ESOL)
0.49
Class (ESOL)
Highly soluble
Log S (Ali)
0.59
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.81
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)
-4.91
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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