N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide (CAS 879914-39-3) is a chemical compound with molecular formula C18H17NO5 and molecular weight 327.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide
Also Known As: N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide, N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide, N-(2H-benzo[3,4-d]1,3-dioxolan-5-ylmethyl)(3-methyl-4-oxo(5,6,7-trihydrobenzo[ 2,1-d]furan-2-yl))carboxamide, N-(benzo[d][1,3]dioxol-5-ylmethyl)-3-methyl-4-oxo-4,5,6,7-tetrahydrobenzofuran-2-carboxamide
| Molecular Formula | C18H17NO5 |
|---|---|
| Molecular Weight | 327.11 g/mol |
| LogP | 2.76572 |
| Topological Polar Surface Area | 77.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 327.1107 |
| Heavy Atoms | 24 |
| Complexity | 836.1749 |
Chemical Identifiers
| CAS Number | 879914-39-3 |
|---|---|
| SMILES | CC1=C(OC2=C1C(=O)CCC2)C(=O)NCC3=CC4=C(C=C3)OCO4 |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide (CAS 879914-39-3), with molecular formula C18H17NO5 and molecular weight 327.11 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
The XLogP value of 2.76572 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide. The TPSA of 77.77 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide has 1 hydrogen bond donor(s) and 5 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-ylmethyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide is 879914-39-3.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide is C18H17NO5.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide is 327.11 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide 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-ylmethyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.