![CAS 189061-11-8 N-[4-[4-(2,3-Dichlorophenyl)-1-piperazinyl]butyl]-9H-fluorene-2-carboxamide hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/189061-11-8.gif)
CAS RN: 189061-11-8
N-[4-[4-(2,3-Dichlorophenyl)-1-piperazinyl]butyl]-9H-fluorene-2-carboxamide hydrochloride
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251220 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS189061-11-8
- Purity/Analytical Methods: >99.0%
189061-11-8 / N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-9H-fluorene-2-carboxamide;hydrochloride
Basic Information
CAS
189061-11-8
Multi CAS
No
Molecular Formula
C28H30Cl3N3O
Molecular Weight
530.900000
Exact Mass
529.145446
SMILES
C1CN(CCN1CCCCNC(=O)C2=CC3=C(C=C2)C4=CC=CC=C4C3)C5=C(C(=CC=C5)Cl)Cl.Cl
InChI
InChI=1S/C28H29Cl2N3O.ClH/c29-25-8-5-9-26(27(25)30)33-16-14-32(15-17-33)13-4-3-12-31-28(34)21-10-11-24-22(19-21)18-20-6-1-2-7-23(20)24;/h1-2,5-11,19H,3-4,12-18H2,(H,31,34);1H
InChIKey
PFIWYJNBKGCVFM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
18
Fraction Csp3
0.32
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
1
Molar refractivity
148.61
TPSA
35.58
LogP / Solubility
WLOGP
6.32
MLOGP
5.6
XLogP3
6.32
Consensus LogP
6.08
Log S (ESOL)
-7.03
Class (ESOL)
Insoluble
Log S (Ali)
-8.48
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.2
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.47
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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