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CAS 76778-22-8 1-(2-Diphenylmethoxyethyl)-4-(3-phenylpropyl)piperazinedihydrochloride molecular structure lightbox
CAS RN: 76778-22-8

1-(2-Diphenylmethoxyethyl)-4-(3-phenylpropyl)piperazinedihydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260412 10mg / 50mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS76778-22-8
  • Purity/Analytical Methods: >99.0%
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76778-22-8 / 1-(2-benzhydryloxyethyl)-4-(3-phenylpropyl)piperazine

Standard CAS: 76778-22-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
76778-22-8
Multi CAS
Yes
Molecular Formula
C28H34N2O
Molecular Weight
414.600000
Exact Mass
414.267114
InChI
InChI=1S/C28H34N2O/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,11-12,14-17,28H,10,13,18-24H2
InChIKey
RAQPOZGWANIDQT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
18
Fraction Csp3
0.36
Rotatable bonds
10
H-bond acceptors
3
Molar refractivity
128.32
TPSA
15.71

LogP / Solubility

WLOGP
5.04
MLOGP
4.46
XLogP3
5.4
Consensus LogP
4.97
Log S (ESOL)
-5.36
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.6
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.74
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)
-1.67

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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