N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylbenzamide
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylbenzamide (CAS 329919-54-2) is a chemical compound with molecular formula C19H21NO3 and molecular weight 311.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylbenzamide
Also Known As: N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylbenzamide, N-(2H-benzo[3,4-d]1,3-dioxolan-5-ylmethyl)[4-(tert-butyl)phenyl]carboxamide
| Molecular Formula | C19H21NO3 |
|---|---|
| Molecular Weight | 311.15 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.15213 |
| Heavy Atoms | 23 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 329919-54-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)NCC2=CC3=C(C=C2)OCO3 |
| InChIKey | BDFICRLLTCGCFU-UHFFFAOYSA-N |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylbenzamide (CAS 329919-54-2), with molecular formula C19H21NO3 and molecular weight 311.15 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylbenzamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylbenzamide
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylbenzamide
The XLogP value of 4.4 indicates that N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylbenzamide 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)-4-tert-butylbenzamide?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylbenzamide is 329919-54-2.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylbenzamide?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylbenzamide is C19H21NO3.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylbenzamide?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylbenzamide is 311.15 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylbenzamide?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylbenzamide 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)-4-tert-butylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.