N-(1,3-benzodioxol-5-ylmethyl)-3,4,5-triethoxybenzamide
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-3,4,5-triethoxybenzamide (CAS 6595-98-8) is a chemical compound with molecular formula C21H25NO6 and molecular weight 387.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-3,4,5-triethoxybenzamide
Also Known As: N-(1,3-benzodioxol-5-ylmethyl)-3,4,5-triethoxybenzamide, BAS 03033758, N-Benzo[1,3]dioxol-5-ylmethyl-3,4,5-triethoxy-benzamide, N-[(2H-1,3-benzodioxol-5-yl)methyl]-3,4,5-triethoxybenzamide, N-(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)(3,4,5-triethoxyphenyl)carboxamide
| Molecular Formula | C21H25NO6 |
|---|---|
| Molecular Weight | 387.17 g/mol |
| LogP | 3.5414 |
| Topological Polar Surface Area | 75.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 387.16818 |
| Heavy Atoms | 28 |
| Complexity | 808.6358 |
Chemical Identifiers
| CAS Number | 6595-98-8 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NCC2=CC3=C(C=C2)OCO3 |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-3,4,5-triethoxybenzamide (CAS 6595-98-8), with molecular formula C21H25NO6 and molecular weight 387.17 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-3,4,5-triethoxybenzamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-3,4,5-triethoxybenzamide
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-3,4,5-triethoxybenzamide
The XLogP value of 3.5414 indicates that N-(1,3-benzodioxol-5-ylmethyl)-3,4,5-triethoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.25 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-ylmethyl)-3,4,5-triethoxybenzamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-3,4,5-triethoxybenzamide has 1 hydrogen bond donor(s) and 6 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)-3,4,5-triethoxybenzamide?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-3,4,5-triethoxybenzamide is 6595-98-8.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-3,4,5-triethoxybenzamide?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-3,4,5-triethoxybenzamide is C21H25NO6.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-3,4,5-triethoxybenzamide?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-3,4,5-triethoxybenzamide is 387.17 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-3,4,5-triethoxybenzamide?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-3,4,5-triethoxybenzamide 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)-3,4,5-triethoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-3,4,5-triethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.