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N-[4-(propanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide
TL;DR: N-[4-(propanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide (CAS 701932-13-0) is a chemical compound with molecular formula C17H16N2O4 and molecular weight 312.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(propanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide
Also Known As: BAS 07437852, N-[4-(propanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide, AP-970/42736798, Benzo[1,3]dioxole-5-carboxylic acid (4-propionylamino-phenyl)-amide, N-[4-(propionylamino)phenyl]-1,3-benzodioxole-5-carboxamide
| Molecular Formula | C17H16N2O4 |
|---|---|
| Molecular Weight | 312.11 g/mol |
| LogP | 3.0161 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.111 |
| Heavy Atoms | 23 |
| Complexity | 740.7586 |
Chemical Identifiers
| CAS Number | 701932-13-0 |
|---|---|
| SMILES | CCC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCO3 |
Product Overview
N-[4-(propanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide (CAS 701932-13-0), with molecular formula C17H16N2O4 and molecular weight 312.11 g/mol. IUPAC: N-[4-(propanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide.
Chemical Property Profile of N-[4-(propanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide
Property Insights of N-[4-(propanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide
The XLogP value of 3.0161 indicates that N-[4-(propanoylamino)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-[4-(propanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide. Following Lipinski's Rule of Five, N-[4-(propanoylamino)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-[4-(propanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide?
The CAS number of N-[4-(propanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide is 701932-13-0.
What is the molecular formula of N-[4-(propanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide?
The molecular formula of N-[4-(propanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide is C17H16N2O4.
What is the molecular weight of N-[4-(propanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide?
The molecular weight of N-[4-(propanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide is 312.11 g/mol.
Where can I buy N-[4-(propanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide?
You can request a quote for N-[4-(propanoylamino)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-[4-(propanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-(propanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.