![CAS 936500-94-6 5-Chloro-N-[[[4-[6-fluoro-1,4-dihydro-7-(methylamino)-2,4-dioxo-3(2H)-quinazolinyl]phenyl]amino]carbonyl]-2-thiophenesulfonamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/936500-94-6.gif)
CAS RN: 936500-94-6
5-Chloro-N-[[[4-[6-fluoro-1,4-dihydro-7-(methylamino)-2,4-dioxo-3(2H)-quinazolinyl]phenyl]amino]carbonyl]-2-thiophenesulfonamide
Product Availability
Choose a grade to view its available package options.
6 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260228 | 5mg / 25mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS936500-94-6
- Purity/Analytical Methods: >99.0%
936500-94-6 / 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-fluoro-7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea
Basic Information
CAS
936500-94-6
Multi CAS
Yes
Molecular Formula
C20H15CLFN5O5S2
Molecular Weight
523.900000
Exact Mass
523.018717
InChI
InChI=1S/C20H15ClFN5O5S2/c1-23-15-9-14-12(8-13(15)22)18(28)27(20(30)25-14)11-4-2-10(3-5-11)24-19(29)26-34(31,32)17-7-6-16(21)33-17/h2-9,23H,1H3,(H,25,30)(H2,24,26,29)
InChIKey
LGSDFTPAICUONK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
21
Fraction Csp3
0.05
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
4
Molar refractivity
128.34
TPSA
142.16
LogP / Solubility
WLOGP
3.09
MLOGP
2.75
XLogP3
3.9
Consensus LogP
3.25
Log S (ESOL)
-5.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.23
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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