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CAS 317822-72-3 2-Piperazinecarboxylic acid, 1,4-bis(phenylmethyl)-, phenylmethyl ester, (2R)- molecular structure lightbox
CAS RN: 317822-72-3

2-Piperazinecarboxylic acid, 1,4-bis(phenylmethyl)-, phenylmethyl ester, (2R)-

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250123 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS317822-72-3
  • Purity/Analytical Methods: >99.0%
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317822-72-3 / benzyl 1,4-dibenzylpiperazine-2-carboxylate

Standard CAS: 317822-72-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
317822-72-3
Multi CAS
Yes
Molecular Formula
C26H28N2O2
Molecular Weight
400.500000
Exact Mass
400.215078
InChI
InChI=1S/C26H28N2O2/c29-26(30-21-24-14-8-3-9-15-24)25-20-27(18-22-10-4-1-5-11-22)16-17-28(25)19-23-12-6-2-7-13-23/h1-15,25H,16-21H2/t25-/m1/s1
InChIKey
MHDDWESHERUOAE-RUZDIDTESA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
18
Fraction Csp3
0.27
Rotatable bonds
7
H-bond acceptors
4
Molar refractivity
118.6
TPSA
32.78

LogP / Solubility

WLOGP
4.12
MLOGP
3.65
XLogP3
4.5
Consensus LogP
4.09
Log S (ESOL)
-4.9
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.52
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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