![CAS 1175077-25-4 5-Hydroxy-8-methoxy-7-[4-(4-methyl-1-piperazinyl)butoxy]-2-phenyl-4H-1-benzopyran-4-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1175077-25-4.gif)
CAS RN: 1175077-25-4
5-Hydroxy-8-methoxy-7-[4-(4-methyl-1-piperazinyl)butoxy]-2-phenyl-4H-1-benzopyran-4-one
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251223 | 1mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1175077-25-4
- Purity/Analytical Methods: >99.0%
1175077-25-4 / 5-hydroxy-8-methoxy-7-[4-(4-methylpiperazin-1-yl)butoxy]-2-phenylchromen-4-one
5-Hydroxy-8-methoxy-7-(4-(4-methylpiperazin-1-yl)butoxy)-2-phenyl-4H-chromen-4-one | RefChem:913438 | LYG-202
Basic Information
CAS
1175077-25-4
Multi CAS
No
Molecular Formula
C25H30N2O5
Molecular Weight
438.500000
Exact Mass
438.215472
SMILES
CN1CCN(CC1)CCCCOC2=C(C3=C(C(=C2)O)C(=O)C=C(O3)C4=CC=CC=C4)OC
InChI
InChI=1S/C25H30N2O5/c1-26-11-13-27(14-12-26)10-6-7-15-31-22-17-20(29)23-19(28)16-21(18-8-4-3-5-9-18)32-25(23)24(22)30-2/h3-5,8-9,16-17,29H,6-7,10-15H2,1-2H3
InChIKey
ICGYSEWPMDWBIL-UHFFFAOYSA-N
Synonyms
5-Hydroxy-8-methoxy-7-(4-(4-methylpiperazin-1-yl)butoxy)-2-phenyl-4H-chromen-4-one
RefChem:913438
LYG-202
5-hydroxy-8-methoxy-7-[4-(4-methylpiperazin-1-yl)butoxy]-2-phenylchromen-4-one
orb1693689
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
16
Fraction Csp3
0.4
Rotatable bonds
8
H-bond acceptors
7
H-bond donors
1
Molar refractivity
124.8
TPSA
75.38
LogP / Solubility
WLOGP
3.58
MLOGP
3.18
XLogP3
3.9
Consensus LogP
3.55
Log S (ESOL)
-4.66
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.74
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.44
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.85
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
Safety & Transport
Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P316, P321, P330, P405, and P501
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