4-tert-butyl-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide
TL;DR: 4-tert-butyl-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide (CAS 540512-30-9) is a chemical compound with molecular formula C21H25NO3 and molecular weight 339.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide
Also Known As: 4-tert-butyl-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide, AO-080/41004675
| Molecular Formula | C21H25NO3 |
|---|---|
| Molecular Weight | 339.18 g/mol |
| LogP | 4.9176 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.18344 |
| Heavy Atoms | 25 |
| Complexity | 772.96356 |
Chemical Identifiers
| CAS Number | 540512-30-9 |
|---|---|
| SMILES | CCCC1=CC2=C(C=C1NC(=O)C3=CC=C(C=C3)C(C)(C)C)OCO2 |
Product Overview
4-tert-butyl-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide (CAS 540512-30-9), with molecular formula C21H25NO3 and molecular weight 339.18 g/mol. IUPAC: 4-tert-butyl-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide.
Chemical Property Profile of 4-tert-butyl-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide
Property Insights of 4-tert-butyl-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide
The XLogP value of 4.9176 indicates that 4-tert-butyl-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.56 Ų, 4-tert-butyl-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-tert-butyl-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide 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 4-tert-butyl-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide?
The CAS number of 4-tert-butyl-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide is 540512-30-9.
What is the molecular formula of 4-tert-butyl-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide?
The molecular formula of 4-tert-butyl-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide is C21H25NO3.
What is the molecular weight of 4-tert-butyl-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide?
The molecular weight of 4-tert-butyl-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide is 339.18 g/mol.
Where can I buy 4-tert-butyl-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide?
You can request a quote for 4-tert-butyl-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-tert-butyl-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-butyl-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.