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CAS 5262-10-2 5-BENZYL-3,6-DIOXO-2-PIPERAZINEACETIC ACID molecular structure lightbox
CAS RN: 5262-10-2

5-BENZYL-3,6-DIOXO-2-PIPERAZINEACETIC ACID

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260126 1g In stock Shanghai, Shandong Inquiry
Batchno.20250305 250mg In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20250701 50mg In stock Guangdong Inquiry
Batchno.20260111 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS5262-10-2
  • Purity/Analytical Methods: >99.0%
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5262-10-2 / 2-[(2S,5S)-5-benzyl-3,6-dioxopiperazin-2-yl]acetic acid

Standard CAS: 5262-10-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5262-10-2
Multi CAS
Yes
Molecular Formula
C13H14N2O4
Molecular Weight
262.260000
Exact Mass
262.095357
InChI
InChI=1S/C13H14N2O4/c16-11(17)7-10-13(19)14-9(12(18)15-10)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,14,19)(H,15,18)(H,16,17)/t9-,10-/m0/s1
InChIKey
VNHJXYUDIBQDDX-UWVGGRQHSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.31
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
66.26
TPSA
95.5

LogP / Solubility

WLOGP
-0.31
MLOGP
-0.27
XLogP3
0.2
Consensus LogP
-0.13
Log S (ESOL)
-1.24
Class (ESOL)
Soluble
Log S (Ali)
-1.48
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.58
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
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)
-4.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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