[email protected]
CAS 1823898-84-5 5-bromo-6-(2-fluoropropan-2-yl)pyrimidin-4(3H)-one molecular structure lightbox
CAS RN: 1823898-84-5

5-bromo-6-(2-fluoropropan-2-yl)pyrimidin-4(3H)-one

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260316 250mg Out of stock Inquiry
  • Product code: starshine_CAS1823898-84-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1823898-84-5 / 5-bromo-4-(2-fluoropropan-2-yl)-1H-pyrimidin-6-one

Standard CAS: 1823898-84-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1823898-84-5
Multi CAS
No
Molecular Formula
C7H8BrFN2O
Molecular Weight
235.050000
Exact Mass
233.980400
SMILES
CC(C)(C1=C(C(=O)NC=N1)Br)F
InChI
InChI=1S/C7H8BrFN2O/c1-7(2,9)5-4(8)6(12)11-3-10-5/h3H,1-2H3,(H,10,11,12)
InChIKey
KPCCJNFMHKGTJS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.69
TPSA
45.75

LogP / Solubility

WLOGP
1.74
MLOGP
1.53
XLogP3
0.9
Consensus LogP
1.39
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.92

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us