![CAS 2411429-33-7 2H-1-Benzopyran-6-carboxamide, 5-methoxy-N-[3-methoxy-4-[2-(2-piperidinyl)ethoxy]phenyl]-2,2-dimethyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2411429-33-7.gif)
CAS RN: 2411429-33-7
2H-1-Benzopyran-6-carboxamide, 5-methoxy-N-[3-methoxy-4-[2-(2-piperidinyl)ethoxy]phenyl]-2,2-dimethyl-
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.20250125 | 5mg / 10mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2411429-33-7
- Purity/Analytical Methods: >99.0%
2411429-33-7 / 5-methoxy-N-[3-methoxy-4-(2-piperidin-2-ylethoxy)phenyl]-2,2-dimethylchromene-6-carboxamide
Basic Information
CAS
2411429-33-7
Multi CAS
No
Molecular Formula
C27H34N2O5
Molecular Weight
466.600000
Exact Mass
466.246772
SMILES
CC1(C=CC2=C(O1)C=CC(=C2OC)C(=O)NC3=CC(=C(C=C3)OCCC4CCCCN4)OC)C
InChI
InChI=1S/C27H34N2O5/c1-27(2)14-12-20-22(34-27)11-9-21(25(20)32-4)26(30)29-19-8-10-23(24(17-19)31-3)33-16-13-18-7-5-6-15-28-18/h8-12,14,17-18,28H,5-7,13,15-16H2,1-4H3,(H,29,30)
InChIKey
QGEKYFVMAGLOKW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
12
Fraction Csp3
0.44
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
2
Molar refractivity
133.44
TPSA
78.05
LogP / Solubility
WLOGP
5.05
MLOGP
4.48
XLogP3
4.4
Consensus LogP
4.64
Log S (ESOL)
-5.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.03
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.85
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)
-1.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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