[email protected]
CAS 675103-35-2 5-(5-acetyl-6-methyl-2-oxo-1-(3-(trifluoromethyl)phenyl)-1,2,3,4tetrahydropyrimidin-4-yl)picolinonitrile molecular structure lightbox
CAS RN: 675103-35-2

5-(5-acetyl-6-methyl-2-oxo-1-(3-(trifluoromethyl)phenyl)-1,2,3,4tetrahydropyrimidin-4-yl)picolinonitrile

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260619 5mg / 10mg / 25mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS675103-35-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

675103-35-2 / 5-[5-acetyl-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-6-yl]pyridine-2-carbonitrile

Standard CAS: 675103-35-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
675103-35-2
Multi CAS
No
Molecular Formula
C20F3H15N4O2
Molecular Weight
400.400000
Exact Mass
400.114710
InChI
InChI=1S/C20H15F3N4O2/c1-11-17(12(2)28)18(13-6-7-15(9-24)25-10-13)26-19(29)27(11)16-5-3-4-14(8-16)20(21,22)23/h3-8,10,18H,1-2H3,(H,26,29)
InChIKey
PGIVGIFOWOVINL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
97.53
TPSA
86.09

LogP / Solubility

WLOGP
4.11
MLOGP
3.64
XLogP3
2.5
Consensus LogP
3.42
Log S (ESOL)
-5.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.81
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.03
Class (SILICOS-IT)
Insoluble

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
Yes
Log Kp (skin permeation)
-2.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us