CAS 910484-28-5 (S)-4-(6-chloro-4-cyclopropyl-2-oxo-3-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroquinazolin-4-yl)benzonitrile molecular structure

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CAS RN: 910484-28-5

(S)-4-(6-chloro-4-cyclopropyl-2-oxo-3-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroquinazolin-4-yl)benzonitrile

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Batch No.	Package	Availability	Lead Time	Inquiry
Batchno.20250715	5mg / 10mg	Out of stock	5-7 business days	Inquiry

Product code: starshine_CAS910484-28-5
Purity/Analytical Methods: >99.0%

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910484-28-5 / 4-[(4S)-6-chloro-4-cyclopropyl-2-oxo-3-(2,2,2-trifluoroethyl)-1H-quinazolin-4-yl]benzonitrile

Standard CAS: 910484-28-5 Multi CAS: Yes

Basic Information Computed Properties

Basic Information

CAS

910484-28-5

Multi CAS

Yes

Molecular Formula

C20H15CLF3N3O

Molecular Weight

405.800000

Exact Mass

405.085574

InChI

InChI=1S/C20H15ClF3N3O/c21-15-7-8-17-16(9-15)20(14-5-6-14,13-3-1-12(10-25)2-4-13)27(18(28)26-17)11-19(22,23)24/h1-4,7-9,14H,5-6,11H2,(H,26,28)/t20-/m1/s1

InChIKey

OVRNWJYZCIAMGV-HXUWFJFHSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.3

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

97.89

TPSA

56.13

LogP / Solubility

WLOGP

5.28

MLOGP

4.67

XLogP3

4.4

Consensus LogP

4.78

Log S (ESOL)

-5.8

Class (ESOL)

Slightly soluble

Log S (Ali)

-6.7

Class (Ali)

Insoluble

Log S (SILICOS-IT)

-7.04

Class (SILICOS-IT)

Insoluble

ADME

GI absorption

High

BBB permeant

P-gp substrate

CYP1A2 inhibitor

Yes

CYP2C19 inhibitor

Yes

CYP2C9 inhibitor

Yes

CYP2D6 inhibitor

Yes

CYP3A4 inhibitor

Yes

Log Kp (skin permeation)

-1.45

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Yes

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

3.5

(S)-4-(6-chloro-4-cyclopropyl-2-oxo-3-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroquinazolin-4-yl)benzonitrile

Product Availability

910484-28-5 / 4-[(4S)-6-chloro-4-cyclopropyl-2-oxo-3-(2,2,2-trifluoroethyl)-1H-quinazolin-4-yl]benzonitrile

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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