CAS RN: 16395-57-6

L-Pyroglutamamide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250414 250mg / 1g / 5g / 10g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS16395-57-6
  • Purity/Analytical Methods: >99.0%
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16395-57-6 / (2S)-5-oxopyrrolidine-2-carboxamide

Standard CAS: 16395-57-6 Multi CAS: No

Basic Information

CAS
16395-57-6
Multi CAS
No
Molecular Formula
C5H8N2O2
Molecular Weight
128.130000
Exact Mass
128.058578
SMILES
C1CC(=O)N[C@@H]1C(=O)N
InChI
InChI=1S/C5H8N2O2/c6-5(9)3-1-2-4(8)7-3/h3H,1-2H2,(H2,6,9)(H,7,8)/t3-/m0/s1
InChIKey
WGOIHPRRFBCVBZ-VKHMYHEASA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
30.36
TPSA
72.19

LogP / Solubility

WLOGP
-1.25
MLOGP
-1.11
XLogP3
-1.4
Consensus LogP
-1.25
Log S (ESOL)
0.22
Class (ESOL)
Highly soluble
Log S (Ali)
0.29
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.42
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)
-4.39

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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