N-(1,3-benzodioxol-5-ylmethyl)-2-phenylbutanamide
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-2-phenylbutanamide (CAS 6587-75-3) is a chemical compound with molecular formula C18H19NO3 and molecular weight 297.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-2-phenylbutanamide
Also Known As: N-(1,3-benzodioxol-5-ylmethyl)-2-phenylbutanamide, BAS 03034080, N-Benzo[1,3]dioxol-5-ylmethyl-2-phenyl-butyramide, N-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-2-PHENYLBUTANAMIDE, N-(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)-2-phenylbutanamide
| Molecular Formula | C18H19NO3 |
|---|---|
| Molecular Weight | 297.14 g/mol |
| LogP | 3.2253 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 297.1365 |
| Heavy Atoms | 22 |
| Complexity | 654.6368 |
Chemical Identifiers
| CAS Number | 6587-75-3 |
|---|---|
| SMILES | CCC(C1=CC=CC=C1)C(=O)NCC2=CC3=C(C=C2)OCO3 |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-2-phenylbutanamide (CAS 6587-75-3), with molecular formula C18H19NO3 and molecular weight 297.14 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-2-phenylbutanamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-2-phenylbutanamide
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-2-phenylbutanamide
The XLogP value of 3.2253 indicates that N-(1,3-benzodioxol-5-ylmethyl)-2-phenylbutanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.56 Ų, N-(1,3-benzodioxol-5-ylmethyl)-2-phenylbutanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-2-phenylbutanamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(1,3-benzodioxol-5-ylmethyl)-2-phenylbutanamide?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-2-phenylbutanamide is 6587-75-3.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-2-phenylbutanamide?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-2-phenylbutanamide is C18H19NO3.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-2-phenylbutanamide?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-2-phenylbutanamide is 297.14 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-2-phenylbutanamide?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-2-phenylbutanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-ylmethyl)-2-phenylbutanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-2-phenylbutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.