![N-[3-(2-methylpropanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide structure](/static/products/7082/708249-74-5.webp)
N-[3-(2-methylpropanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide
TL;DR: N-[3-(2-methylpropanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide (CAS 708249-74-5) is a chemical compound with molecular formula C18H18N2O4 and molecular weight 326.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(2-methylpropanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide
Also Known As: BAS 08885366, N-[3-(2-methylpropanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide, N-{3-[(2-methylpropanoyl)amino]phenyl}-1,3-benzodioxole-5-carboxamide, Benzo[1,3]dioxole-5-carboxylic acid (3-isobutyrylamino-phenyl)-amide, N-[3-(2H-benzo[3,4-d]1,3-dioxolan-5-ylcarbonylamino)phenyl]-2-methylpropanamid e
| Molecular Formula | C18H18N2O4 |
|---|---|
| Molecular Weight | 326.13 g/mol |
| LogP | 3.2621 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.12665 |
| Heavy Atoms | 24 |
| Complexity | 786.33826 |
Chemical Identifiers
| CAS Number | 708249-74-5 |
|---|---|
| SMILES | CC(C)C(=O)NC1=CC=CC(=C1)NC(=O)C2=CC3=C(C=C2)OCO3 |
Product Overview
N-[3-(2-methylpropanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide (CAS 708249-74-5), with molecular formula C18H18N2O4 and molecular weight 326.13 g/mol. IUPAC: N-[3-(2-methylpropanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide.
Chemical Property Profile of N-[3-(2-methylpropanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide
Property Insights of N-[3-(2-methylpropanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide
The XLogP value of 3.2621 indicates that N-[3-(2-methylpropanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[3-(2-methylpropanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide. Following Lipinski's Rule of Five, N-[3-(2-methylpropanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide has 2 hydrogen bond donor(s) and 4 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-[3-(2-methylpropanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide?
The CAS number of N-[3-(2-methylpropanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide is 708249-74-5.
What is the molecular formula of N-[3-(2-methylpropanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide?
The molecular formula of N-[3-(2-methylpropanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide is C18H18N2O4.
What is the molecular weight of N-[3-(2-methylpropanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide?
The molecular weight of N-[3-(2-methylpropanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide is 326.13 g/mol.
Where can I buy N-[3-(2-methylpropanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide?
You can request a quote for N-[3-(2-methylpropanoylamino)phenyl]-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-[3-(2-methylpropanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[3-(2-methylpropanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.