[email protected]
CAS 545445-71-4 5-(Pyrimidin-2-yl)furan-2-carbaldehyde molecular structure lightbox
CAS RN: 545445-71-4

5-(Pyrimidin-2-yl)furan-2-carbaldehyde

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250516 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: LINP913819
GET A QUOTE

545445-71-4 / 5-pyrimidin-2-ylfuran-2-carbaldehyde

Standard CAS: 545445-71-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
545445-71-4
Multi CAS
No
Molecular Formula
C9H6N2O2
Molecular Weight
174.160000
Exact Mass
174.042927
InChI
InChI=1S/C9H6N2O2/c12-6-7-2-3-8(13-7)9-10-4-1-5-11-9/h1-6H
InChIKey
IMVHIMMDHKULHH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
45.12
TPSA
55.99

LogP / Solubility

WLOGP
1.55
MLOGP
1.36
XLogP3
0.8
Consensus LogP
1.24
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.32
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us