CAS 10457-90-6 BROMPERIDOL molecular structure

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CAS RN: 10457-90-6

BROMPERIDOL

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Batch No.	Package	Availability	Warehouse	Lead Time	Inquiry
Batchno.20260226	100mg	Out of stock		15 business days	Inquiry
Batchno.20251016	50mg	In stock	Shandong		Inquiry

Product code: starshine_CAS10457-90-6
Purity/Analytical Methods: >99.0%

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10457-90-6 / 4-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one

bromperidol | Impromen | Bromoperidol

Standard CAS: 10457-90-6 Multi CAS: Yes

Basic Information Computed Properties Safety & Transport

Basic Information

CAS

10457-90-6

Multi CAS

Yes

Molecular Formula

C21H23BrFNO2

Molecular Weight

420.300000

Exact Mass

419.089620

SMILES

C1CN(CCC1(C2=CC=C(C=C2)Br)O)CCCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H23BrFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2

InChIKey

RKLNONIVDFXQRX-UHFFFAOYSA-N

Synonyms

bromperidol Impromen Bromoperidol 4-(4-(4-bromophenyl)-4-hydroxypiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one Bromperidolum

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.38

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

103.68

TPSA

40.54

LogP / Solubility

WLOGP

4.53

MLOGP

4.02

XLogP3

3.3

Consensus LogP

3.95

Log S (ESOL)

-5.25

Class (ESOL)

Slightly soluble

Log S (Ali)

-6.28

Class (Ali)

Insoluble

Log S (SILICOS-IT)

-6.88

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)

-2.06

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Yes

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

2.5

Safety & Transport

Pictogram(s)

Irritant

Signal

Warning

GHS Hazard Statements

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H332 (14.9%): Harmful if inhaled [Warning Acute toxicity, inhalation] H336 (14.9%): May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects]

Precautionary Statement Codes

P261, P264, P270, P271, P301+P317, P304+P340, P317, P319, P330, P403+P233, P405, and P501