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CAS 10457-90-6 BROMPERIDOL molecular structure lightbox
CAS RN: 10457-90-6

BROMPERIDOL

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Batch No.PackageAvailabilityWarehouseLead TimeInquiry
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
26
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
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
No
P-gp substrate
No
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
No
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

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