[email protected]
CAS 591239-68-8 (5Z)-2-hydroxy-4-methyl-6-oxo-5-[(5-phenylfuran-2-yl)methylidene]-5,6-dihydropyridine-3-carbonitrile molecular structure lightbox
CAS RN: 591239-68-8

(5Z)-2-hydroxy-4-methyl-6-oxo-5-[(5-phenylfuran-2-yl)methylidene]-5,6-dihydropyridine-3-carbonitrile

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250109 5mg / 10mg / 25mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS591239-68-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

591239-68-8 / 4-methyl-2,6-dioxo-5-[(5-phenylfuran-2-yl)methylidene]pyridine-3-carbonitrile

Standard CAS: 591239-68-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
591239-68-8
Multi CAS
Yes
Molecular Formula
C18H12N2O3
Molecular Weight
304.300000
Exact Mass
304.084792
InChI
InChI=1S/C18H12N2O3/c1-11-14(17(21)20-18(22)15(11)10-19)9-13-7-8-16(23-13)12-5-3-2-4-6-12/h2-9H,1H3,(H,20,21,22)/b14-9-
InChIKey
SNLNUUWCOAPJED-ZROIWOOFSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
11
Fraction Csp3
0.06
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
83.58
TPSA
83.1

LogP / Solubility

WLOGP
2.83
MLOGP
2.5
XLogP3
2.3
Consensus LogP
2.54
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.22
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us