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CAS 28598-08-5 Cinoctramide molecular structure lightbox
CAS RN: 28598-08-5

Cinoctramide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260106 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS28598-08-5
  • Purity/Analytical Methods: >99.0%
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28598-08-5 / 1-(azocan-1-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

Standard CAS: 28598-08-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
28598-08-5
Multi CAS
Yes
Molecular Formula
C19H27NO4
Molecular Weight
333.400000
Exact Mass
333.194008
InChI
InChI=1S/C19H27NO4/c1-22-16-13-15(14-17(23-2)19(16)24-3)9-10-18(21)20-11-7-5-4-6-8-12-20/h9-10,13-14H,4-8,11-12H2,1-3H3
InChIKey
MDGVCMGGLSOVIQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
94.8
TPSA
48

LogP / Solubility

WLOGP
3.52
MLOGP
3.11
XLogP3
3.5
Consensus LogP
3.38
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.83
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.35
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.26

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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