[email protected]
CAS 592524-75-9 (E)-tert-butyl 3-(4-((N-(3-((E)-3-methoxy-3-oxoprop-1-enyl)phenyl)cyclohexanecarboxamido)methyl)phenyl)acrylate molecular structure lightbox
CAS RN: 592524-75-9

(E)-tert-butyl 3-(4-((N-(3-((E)-3-methoxy-3-oxoprop-1-enyl)phenyl)cyclohexanecarboxamido)methyl)phenyl)acrylate

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250129 10mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS592524-75-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

592524-75-9 / tert-butyl (E)-3-[4-[[N-(cyclohexanecarbonyl)-3-[(E)-3-methoxy-3-oxoprop-1-enyl]anilino]methyl]phenyl]prop-2-enoate

Standard CAS: 592524-75-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
592524-75-9
Multi CAS
Yes
Molecular Formula
C31H37NO5
Molecular Weight
503.600000
Exact Mass
503.267173
InChI
InChI=1S/C31H37NO5/c1-31(2,3)37-29(34)20-17-23-13-15-25(16-14-23)22-32(30(35)26-10-6-5-7-11-26)27-12-8-9-24(21-27)18-19-28(33)36-4/h8-9,12-21,26H,5-7,10-11,22H2,1-4H3/b19-18+,20-17+
InChIKey
RNHPBABXWKAHQM-LKRWSQIDSA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
12
Fraction Csp3
0.39
Rotatable bonds
8
H-bond acceptors
5
Molar refractivity
146.58
TPSA
72.91

LogP / Solubility

WLOGP
6.34
MLOGP
5.62
XLogP3
6.4
Consensus LogP
6.12
Log S (ESOL)
-6.67
Class (ESOL)
Insoluble
Log S (Ali)
-8.27
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.16
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.29

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

Customers Also Viewed

Get In Touch

Contact Us