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CAS 83863-67-6 1-[3-[4-(diphenylmethyl)-1-piperazinyl]propyl]-1,3-dihydro-3-(1-methylvinyl)-2H-benzimidazol-2-one molecular structure lightbox
CAS RN: 83863-67-6

1-[3-[4-(diphenylmethyl)-1-piperazinyl]propyl]-1,3-dihydro-3-(1-methylvinyl)-2H-benzimidazol-2-one

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251228 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS83863-67-6
  • Purity/Analytical Methods: >99.0%
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83863-67-6 / 1-[3-(4-benzhydrylpiperazin-1-yl)propyl]-3-prop-1-en-2-ylbenzimidazol-2-one

Standard CAS: 83863-67-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
83863-67-6
Multi CAS
No
Molecular Formula
C30H34N4O
Molecular Weight
466.600000
Exact Mass
466.273262
InChI
InChI=1S/C30H34N4O/c1-24(2)34-28-17-10-9-16-27(28)33(30(34)35)19-11-18-31-20-22-32(23-21-31)29(25-12-5-3-6-13-25)26-14-7-4-8-15-26/h3-10,12-17,29H,1,11,18-23H2,2H3
InChIKey
ZWSPGJJMVIEYKJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
21
Fraction Csp3
0.3
Rotatable bonds
8
H-bond acceptors
5
Molar refractivity
144.56
TPSA
33.41

LogP / Solubility

WLOGP
5.09
MLOGP
4.51
XLogP3
5.2
Consensus LogP
4.93
Log S (ESOL)
-5.86
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.06
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.88
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)
-1.95

Drug-likeness / Medicinal Chemistry

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

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