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CAS 1622-79-3 Melperone hydrochloride molecular structure lightbox
CAS RN: 1622-79-3

Melperone hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251230 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1622-79-3
  • Purity/Analytical Methods: >99.0%
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1622-79-3 / 1-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)butan-1-one;hydrochloride

Standard CAS: 1622-79-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1622-79-3
Multi CAS
No
Molecular Formula
C16H23ClFNO
Molecular Weight
299.810000
Exact Mass
299.145220
SMILES
CC1CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F.Cl
InChI
InChI=1S/C16H22FNO.ClH/c1-13-8-11-18(12-9-13)10-2-3-16(19)14-4-6-15(17)7-5-14;/h4-7,13H,2-3,8-12H2,1H3;1H
InChIKey
MQHYXXIJLKFQGY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
82.05
TPSA
20.31

LogP / Solubility

WLOGP
3.94
MLOGP
3.48
XLogP3
3.94
Consensus LogP
3.79
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.48
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (98%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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