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CAS 2862-51-3 CYCLO(-PHE-PHE) molecular structure lightbox
CAS RN: 2862-51-3

CYCLO(-PHE-PHE)

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260320 100mg In stock Shanghai Inquiry
Batchno.20260614 1g In stock Shanghai Inquiry
Batchno.20250906 250mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260531 100mg / 250mg / 1g Confirm by inquiry Shanghai, Hebei Inquiry
  • Product code: starshine_CAS2862-51-3
  • Purity/Analytical Methods: >99.0%
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2862-51-3 / 3,6-dibenzylpiperazine-2,5-dione

Standard CAS: 2862-51-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
2862-51-3
Multi CAS
Yes
Molecular Formula
C18H18N2O2
Molecular Weight
294.300000
Exact Mass
294.136828
InChI
InChI=1S/C18H18N2O2/c21-17-15(11-13-7-3-1-4-8-13)19-18(22)16(20-17)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,19,22)(H,20,21)
InChIKey
JUAPMRSLDANLAS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.22
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
84.15
TPSA
58.2

LogP / Solubility

WLOGP
1.45
MLOGP
1.29
XLogP3
2.7
Consensus LogP
1.82
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.26
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.48

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

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