![CAS 521310-51-0 BenzenepentanaMide, N-[[3-Methoxy-4-(phenylMethoxy)phenyl]Methyl]-N-[2-(2-pyridinyl)ethyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/521310-51-0.gif)
CAS RN: 521310-51-0
BenzenepentanaMide, N-[[3-Methoxy-4-(phenylMethoxy)phenyl]Methyl]-N-[2-(2-pyridinyl)ethyl]-
Product Availability
Choose a grade to view its available package options.
4 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250704 | 5mg / 10mg / 50mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS521310-51-0
- Purity/Analytical Methods: >99.0%
521310-51-0 / N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-phenyl-N-(2-pyridin-2-ylethyl)pentanamide
Basic Information
CAS
521310-51-0
Multi CAS
No
Molecular Formula
C33H36N2O3
Molecular Weight
508.600000
Exact Mass
508.272593
InChI
InChI=1S/C33H36N2O3/c1-37-32-24-29(19-20-31(32)38-26-28-15-6-3-7-16-28)25-35(23-21-30-17-10-11-22-34-30)33(36)18-9-8-14-27-12-4-2-5-13-27/h2-7,10-13,15-17,19-20,22,24H,8-9,14,18,21,23,25-26H2,1H3
InChIKey
JWLZIHLAMJDONF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
24
Fraction Csp3
0.27
Rotatable bonds
14
H-bond acceptors
4
Molar refractivity
151.12
TPSA
51.66
LogP / Solubility
WLOGP
6.65
MLOGP
5.89
XLogP3
6.4
Consensus LogP
6.31
Log S (ESOL)
-6.73
Class (ESOL)
Insoluble
Log S (Ali)
-8.53
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.17
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)
-1.1
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
Customers Also Viewed
-
-
2H-Cyclopenta[b]furan-2-one,hexahydro-5-hydroxy-4-(hydroxymethyl)-
- CAS RN: 521323-11-5
- Product Code: starshine_CAS521323-11-5
- Purity/Analytical method: >99.0%
-
KNOVZDRKHSHEQN-JZGIKJSDSA-N
- CAS RN: 521915-75-3
- Product Code: starshine_CAS521915-75-3
- Purity/Analytical method: >99.0%
-
-
2,3,4,5-Tetrahydro-7-hydroxy-1H-benzofuro[2,3-c]azepin-1-one
- CAS RN: 521937-07-5
- Product Code: starshine_CAS521937-07-5
- Purity/Analytical method: >99.0%
-
![CAS 521323-11-5 2H-Cyclopenta[b]furan-2-one,hexahydro-5-hydroxy-4-(hydroxymethyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/521323-11-5.gif)
![CAS 521937-07-5 2,3,4,5-Tetrahydro-7-hydroxy-1H-benzofuro[2,3-c]azepin-1-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/521937-07-5.gif)
![CAS 521944-15-0 3-BENZYL-3-AZABICYCLO[3.2.1]OCTAN-8-OL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/521944-15-0.gif)