![CAS 330834-54-3 N-[3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-N-benzylpropanamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/330834-54-3.gif)
CAS RN: 330834-54-3
N-[3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-N-benzylpropanamide
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.20260419 | 5mg / 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS330834-54-3
- Purity/Analytical Methods: >99.0%
330834-54-3 / N-[3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-N-benzylpropanamide
Basic Information
CAS
330834-54-3
Multi CAS
Yes
Molecular Formula
C27H29NO4
Molecular Weight
431.500000
Exact Mass
431.209658
InChI
InChI=1S/C27H29NO4/c1-3-27(29)28(18-20-9-5-4-6-10-20)16-15-22(23-11-7-8-12-24(23)30-2)21-13-14-25-26(17-21)32-19-31-25/h4-14,17,22H,3,15-16,18-19H2,1-2H3
InChIKey
SRADCMOCDMFMPS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
18
Fraction Csp3
0.3
Rotatable bonds
9
H-bond acceptors
4
Molar refractivity
124.17
TPSA
48
LogP / Solubility
WLOGP
5.38
MLOGP
4.77
XLogP3
5.2
Consensus LogP
5.12
Log S (ESOL)
-5.73
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.99
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.01
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)
-1.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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