[email protected]
CAS 1027929-81-2 7-fluoro-8-nitroquinazolin-4-ol molecular structure lightbox
CAS RN: 1027929-81-2

7-fluoro-8-nitroquinazolin-4-ol

Product Availability

Choose a grade to view its available package options.

3 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250410 100mg Out of stock Inquiry
Batchno.20250610 250mg Out of stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260529 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1027929-81-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1027929-81-2 / 7-fluoro-8-nitro-3H-quinazolin-4-one

Standard CAS: 1027929-81-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1027929-81-2
Multi CAS
Yes
Molecular Formula
C8H4FN3O3
Molecular Weight
209.130000
Exact Mass
209.023669
SMILES
C1=CC(=C(C2=C1C(=O)NC=N2)[N+](=O)[O-])F
InChI
InChI=1S/C8H4FN3O3/c9-5-2-1-4-6(7(5)12(14)15)10-3-11-8(4)13/h1-3H,(H,10,11,13)
InChIKey
CJBKDJKOXRYRRV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
48.98
TPSA
88.89

LogP / Solubility

WLOGP
0.97
MLOGP
0.86
XLogP3
0.6
Consensus LogP
0.81
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.94
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.31

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us