N-(1,3-benzodioxol-5-yl)-4-tert-butylbenzamide
TL;DR: N-(1,3-benzodioxol-5-yl)-4-tert-butylbenzamide (CAS 129488-53-5) 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-yl)-4-tert-butylbenzamide
Also Known As: N-(1,3-benzodioxol-5-yl)-4-tert-butylbenzamide, BAS 00678239, N-(2H-1,3-benzodioxol-5-yl)-4-tert-butylbenzamide, AB00080363-01, N-Benzo[1,3]dioxol-5-yl-4-tert-butyl-benzamide
| Molecular Formula | C18H19NO3 |
|---|---|
| Molecular Weight | 297.14 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.1365 |
| Heavy Atoms | 22 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 129488-53-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)OCO3 |
| InChIKey | VULHNINNOCCYOP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(1,3-benzodioxol-5-yl)-4-tert-butylbenzamide (CAS 129488-53-5), with molecular formula C18H19NO3 and molecular weight 297.14 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-4-tert-butylbenzamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-yl)-4-tert-butylbenzamide
Property Insights of N-(1,3-benzodioxol-5-yl)-4-tert-butylbenzamide
The XLogP value of 4.2 indicates that N-(1,3-benzodioxol-5-yl)-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-yl)-4-tert-butylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-yl)-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-yl)-4-tert-butylbenzamide?
The CAS number of N-(1,3-benzodioxol-5-yl)-4-tert-butylbenzamide is 129488-53-5.
What is the molecular formula of N-(1,3-benzodioxol-5-yl)-4-tert-butylbenzamide?
The molecular formula of N-(1,3-benzodioxol-5-yl)-4-tert-butylbenzamide is C18H19NO3.
What is the molecular weight of N-(1,3-benzodioxol-5-yl)-4-tert-butylbenzamide?
The molecular weight of N-(1,3-benzodioxol-5-yl)-4-tert-butylbenzamide is 297.14 g/mol.
Where can I buy N-(1,3-benzodioxol-5-yl)-4-tert-butylbenzamide?
You can request a quote for N-(1,3-benzodioxol-5-yl)-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-yl)-4-tert-butylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-yl)-4-tert-butylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.