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CAS 1797983-65-3 1-[4-[4-(2,3-Dichlorophenyl)piperazin-1-yl]butyl]-7-hydroxy-3,4-dihydrocarbostyril molecular structure lightbox
CAS RN: 1797983-65-3

1-[4-[4-(2,3-Dichlorophenyl)piperazin-1-yl]butyl]-7-hydroxy-3,4-dihydrocarbostyril

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250214 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1797983-65-3
  • Purity/Analytical Methods: >99.0%
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1797983-65-3 / 1-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-7-hydroxy-3,4-dihydroquinolin-2-one

Standard CAS: 1797983-65-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1797983-65-3
Multi CAS
No
Molecular Formula
C23H27Cl2N3O2
Molecular Weight
448.400000
Exact Mass
447.148033
SMILES
C1CC(=O)N(C2=C1C=CC(=C2)O)CCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl
InChI
InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-20(23(19)25)27-14-12-26(13-15-27)10-1-2-11-28-21-16-18(29)8-6-17(21)7-9-22(28)30/h3-6,8,16,29H,1-2,7,9-15H2
InChIKey
PVGLTOICFDOVGU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
123.13
TPSA
47.02

LogP / Solubility

WLOGP
4.58
MLOGP
4.06
XLogP3
4.5
Consensus LogP
4.38
Log S (ESOL)
-5.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.54
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.1
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)
-2.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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