N,N-diisobutyl-1,3-benzodioxole-5-carboxamide
TL;DR: N,N-diisobutyl-1,3-benzodioxole-5-carboxamide (CAS 544680-64-0) is a chemical compound with molecular formula C16H23NO3 and molecular weight 277.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
Also Known As: N,N-diisobutyl-1,3-benzodioxole-5-carboxamide, N,N-bis(2-methylpropyl)-1,3-benzodioxole-5-carboxamide, N,N-bis(2-methylpropyl)benzo[1,3]dioxole-5-carboxamide, NN-BIS(2-METHYLPROPYL)-2H-13-BENZODIOXOLE-5-CARBOXAMIDE, 2H-benzo[3,4-d]1,3-dioxolan-5-yl-N,N-bis(2-methylpropyl)carboxamide
| Molecular Formula | C16H23NO3 |
|---|---|
| Molecular Weight | 277.17 g/mol |
| LogP | 3.1695 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 277.1678 |
| Heavy Atoms | 20 |
| Complexity | 472.61038 |
Chemical Identifiers
| CAS Number | 544680-64-0 |
|---|---|
| SMILES | CC(C)CN(CC(C)C)C(=O)C1=CC2=C(C=C1)OCO2 |
Product Overview
N,N-diisobutyl-1,3-benzodioxole-5-carboxamide (CAS 544680-64-0), with molecular formula C16H23NO3 and molecular weight 277.17 g/mol. IUPAC: N,N-bis(2-methylpropyl)-1,3-benzodioxole-5-carboxamide.
Chemical Property Profile of N,N-diisobutyl-1,3-benzodioxole-5-carboxamide
Property Insights of N,N-diisobutyl-1,3-benzodioxole-5-carboxamide
The XLogP value of 3.1695 indicates that N,N-diisobutyl-1,3-benzodioxole-5-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.77 Ų, N,N-diisobutyl-1,3-benzodioxole-5-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-diisobutyl-1,3-benzodioxole-5-carboxamide has 0 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,N-diisobutyl-1,3-benzodioxole-5-carboxamide?
The CAS number of N,N-diisobutyl-1,3-benzodioxole-5-carboxamide is 544680-64-0.
What is the molecular formula of N,N-diisobutyl-1,3-benzodioxole-5-carboxamide?
The molecular formula of N,N-diisobutyl-1,3-benzodioxole-5-carboxamide is C16H23NO3.
What is the molecular weight of N,N-diisobutyl-1,3-benzodioxole-5-carboxamide?
The molecular weight of N,N-diisobutyl-1,3-benzodioxole-5-carboxamide is 277.17 g/mol.
Where can I buy N,N-diisobutyl-1,3-benzodioxole-5-carboxamide?
You can request a quote for N,N-diisobutyl-1,3-benzodioxole-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-diisobutyl-1,3-benzodioxole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-diisobutyl-1,3-benzodioxole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.