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CAS 936501-00-7 3-(4-Aminophenyl)-6-fluoro-7-(methylamino)quinazoline-2,4(1H,3H)-dione molecular structure lightbox
CAS RN: 936501-00-7

3-(4-Aminophenyl)-6-fluoro-7-(methylamino)quinazoline-2,4(1H,3H)-dione

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250514 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS936501-00-7
  • Purity/Analytical Methods: >99.0%
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936501-00-7 / 3-(4-aminophenyl)-6-fluoro-7-(methylamino)-1H-quinazoline-2,4-dione

Standard CAS: 936501-00-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
936501-00-7
Multi CAS
Yes
Molecular Formula
C15FH13N4O2
Molecular Weight
300.290000
Exact Mass
300.102254
InChI
InChI=1S/C15H13FN4O2/c1-18-13-7-12-10(6-11(13)16)14(21)20(15(22)19-12)9-4-2-8(17)3-5-9/h2-7,18H,17H2,1H3,(H,19,22)
InChIKey
CSUGIYPBKRLZAN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
16
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
3
Molar refractivity
84.08
TPSA
92.91

LogP / Solubility

WLOGP
1.44
MLOGP
1.28
XLogP3
1.6
Consensus LogP
1.44
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.05
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.53

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

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