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CAS 368429-72-5 1-BENZYL-5-OXO-3-PYRROLIDINECARBOHYDRAZIDE molecular structure lightbox
CAS RN: 368429-72-5

1-BENZYL-5-OXO-3-PYRROLIDINECARBOHYDRAZIDE

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3 package records1 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260521 1g Out of stock Inquiry
Batchno.20251104 250mg Out of stock Inquiry
Batchno.20260616 50mg In stock Inquiry
  • Product code: starshine_CAS368429-72-5
  • Purity/Analytical Methods: >99.0%
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368429-72-5 / 1-benzyl-5-oxopyrrolidine-3-carbohydrazide

Standard CAS: 368429-72-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
368429-72-5
Multi CAS
No
Molecular Formula
C12H15N3O2
Molecular Weight
233.270000
Exact Mass
233.116427
InChI
InChI=1S/C12H15N3O2/c13-14-12(17)10-6-11(16)15(8-10)7-9-4-2-1-3-5-9/h1-5,10H,6-8,13H2,(H,14,17)
InChIKey
XHZSIPQGQQCXRH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
62.3
TPSA
75.43

LogP / Solubility

WLOGP
0.03
MLOGP
0.03
XLogP3
-0.5
Consensus LogP
-0.15
Log S (ESOL)
-1.37
Class (ESOL)
Soluble
Log S (Ali)
-1.49
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.56
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)
-4.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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