CAS 149908-53-2 AZIMILIDE molecular structure

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CAS RN: 149908-53-2

AZIMILIDE

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8 package records6 with current stock2 grade groups

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Batchno.20251115	10mg	Out of stock		15 business days	Inquiry
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Batchno.20250910	5mg	In stock	Shanghai	Inquiry

Product code: starshine_CAS149908-53-2
Purity/Analytical Methods: >99.0%

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149908-53-2 / 1-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-[4-(4-methylpiperazin-1-yl)butyl]imidazolidine-2,4-dione

Standard CAS: 149908-53-2 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

149908-53-2

Multi CAS

Molecular Formula

C23H28ClN5O3

Molecular Weight

458.000000

Exact Mass

457.188068

SMILES

CN1CCN(CC1)CCCCN2C(=O)CN(C2=O)/N=C/C3=CC=C(O3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H28ClN5O3/c1-26-12-14-27(15-13-26)10-2-3-11-28-22(30)17-29(23(28)31)25-16-20-8-9-21(32-20)18-4-6-19(24)7-5-18/h4-9,16H,2-3,10-15,17H2,1H3/b25-16+

InChIKey

MREBEPTUUMTTIA-PCLIKHOPSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.43

Rotatable bonds

H-bond acceptors

Molar refractivity

123.73

TPSA

72.6

LogP / Solubility

WLOGP

3.23

MLOGP

2.87

XLogP3

3.2

Consensus LogP

3.1

Log S (ESOL)

-4.44

Class (ESOL)

Slightly soluble

Log S (Ali)

-5.64

Class (Ali)

Slightly soluble

Log S (SILICOS-IT)

-6.27

Class (SILICOS-IT)

Insoluble

ADME

GI absorption

High

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

Yes

CYP2C19 inhibitor

Yes

CYP2C9 inhibitor

Yes

CYP2D6 inhibitor

Yes

CYP3A4 inhibitor

Yes

Log Kp (skin permeation)

-3.22

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Yes

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Synthetic Accessibility

AZIMILIDE

Product Availability

149908-53-2 / 1-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-[4-(4-methylpiperazin-1-yl)butyl]imidazolidine-2,4-dione

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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