CAS RN: 10023-54-8
Aminoquinol
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| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250325 | 50mg | Out of stock | Inquiry |
- Product code: starshine_CAS10023-54-8
- Purity/Analytical Methods: >99.0%
10023-54-8 / 4-N-[7-chloro-2-[(E)-2-(2-chlorophenyl)ethenyl]quinolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine
N4-(7-Chloro-2-(2-chlorostyryl)quinolin-4-yl)-N1,N1-diethylpentane-1,4-diamine | 4-N-[7-chloro-2-[2-(2-chlorophenyl)ethenyl]quinolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine | GNF-Pf-5233
Basic Information
CAS
10023-54-8
Multi CAS
Yes
Molecular Formula
C26H31Cl2N3
Molecular Weight
456.400000
Exact Mass
455.189503
SMILES
CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC(=C1)/C=C/C3=CC=CC=C3Cl)Cl
InChI
InChI=1S/C26H31Cl2N3/c1-4-31(5-2)16-8-9-19(3)29-26-18-22(14-12-20-10-6-7-11-24(20)28)30-25-17-21(27)13-15-23(25)26/h6-7,10-15,17-19H,4-5,8-9,16H2,1-3H3,(H,29,30)/b14-12+
InChIKey
CMLVHSVFSYNMGM-WYMLVPIESA-N
Synonyms
N4-(7-Chloro-2-(2-chlorostyryl)quinolin-4-yl)-N1,N1-diethylpentane-1,4-diamine
4-N-[7-chloro-2-[2-(2-chlorophenyl)ethenyl]quinolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine
GNF-Pf-5233
CHEMBL528316
SCHEMBL1612756
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
16
Fraction Csp3
0.35
Rotatable bonds
10
H-bond acceptors
3
H-bond donors
1
Molar refractivity
137.24
TPSA
28.16
LogP / Solubility
WLOGP
7.63
MLOGP
6.75
XLogP3
7.7
Consensus LogP
7.36
Log S (ESOL)
-7.2
Class (ESOL)
Insoluble
Log S (Ali)
-8.82
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.16
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-0.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Safety & Transport
Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264, P270, P273, P301+P316, P321, P330, P405, and P501
