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CAS 56079-81-3 Ropitoin molecular structure lightbox
CAS RN: 56079-81-3

Ropitoin

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260213 1mg / 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS56079-81-3
  • Purity/Analytical Methods: >99.0%
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56079-81-3 / 5-(4-methoxyphenyl)-5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione

Standard CAS: 56079-81-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
56079-81-3
Multi CAS
No
Molecular Formula
C30H33N3O3
Molecular Weight
483.600000
Exact Mass
483.252192
InChI
InChI=1S/C30H33N3O3/c1-36-27-15-13-26(14-16-27)30(25-11-6-3-7-12-25)28(34)33(29(35)31-30)20-8-19-32-21-17-24(18-22-32)23-9-4-2-5-10-23/h2-7,9-16,24H,8,17-22H2,1H3,(H,31,35)
InChIKey
QAKVGHCHHKKDBQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
18
Fraction Csp3
0.33
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
1
Molar refractivity
139.93
TPSA
61.88

LogP / Solubility

WLOGP
4.76
MLOGP
4.22
XLogP3
4.9
Consensus LogP
4.63
Log S (ESOL)
-5.68
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.96
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.71
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)
-2.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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