CAS 90263-34-6 1-Piperidinepropanamide, N-[1,2,3,9-tetrahydro-9-oxo-3-(phenylmethylene)pyrrolo[2,1-b]quinazolin-6-yl]- molecular structure

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CAS RN: 90263-34-6

1-Piperidinepropanamide, N-[1,2,3,9-tetrahydro-9-oxo-3-(phenylmethylene)pyrrolo[2,1-b]quinazolin-6-yl]-

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4 package records3 with current stock1 grade group

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Batchno.20250930	10mg	In stock	Inquiry
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Product code: starshine_CAS90263-34-6
Purity/Analytical Methods: >99.0%

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90263-34-6 / N-[(3E)-3-benzylidene-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazolin-6-yl]-3-piperidin-1-ylpropanamide

Standard CAS: 90263-34-6 Multi CAS: Yes

Basic Information Computed Properties

Basic Information

CAS

90263-34-6

Multi CAS

Yes

Molecular Formula

C26H28N4O2

Molecular Weight

428.500000

Exact Mass

428.221226

InChI

InChI=1S/C26H28N4O2/c31-24(12-15-29-13-5-2-6-14-29)27-21-9-10-22-23(18-21)28-25-20(11-16-30(25)26(22)32)17-19-7-3-1-4-8-19/h1,3-4,7-10,17-18H,2,5-6,11-16H2,(H,27,31)/b20-17+

InChIKey

IKZNFIXEWJBYCF-LVZFUZTISA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.35

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

128.47

TPSA

67.23

LogP / Solubility

WLOGP

4.16

MLOGP

3.68

XLogP3

Consensus LogP

3.61

Log S (ESOL)

-5.15

Class (ESOL)

Slightly soluble

Log S (Ali)

-6.07

Class (Ali)

Insoluble

Log S (SILICOS-IT)

-6.49

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)

-2.38

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Yes

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

3.5

1-Piperidinepropanamide, N-[1,2,3,9-tetrahydro-9-oxo-3-(phenylmethylene)pyrrolo[2,1-b]quinazolin-6-yl]-

Product Availability

90263-34-6 / N-[(3E)-3-benzylidene-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazolin-6-yl]-3-piperidin-1-ylpropanamide

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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