3,6,6-Trimethyl-N-(3-methylphenyl)-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
TL;DR: 3,6,6-Trimethyl-N-(3-methylphenyl)-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide (CAS 7066-35-5) is a chemical compound with molecular formula C19H21NO3 and molecular weight 311.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6,6-trimethyl-N-(3-methylphenyl)-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide
Also Known As: 3,6,6-Trimethyl-N-(3-methylphenyl)-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide, 3,6,6-trimethyl-N-(3-methylphenyl)-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide, 3,6,6-trimethyl-N-(3-methylphenyl)-4-oxo-5,7-dihydrobenzofuran-2-carboxamide
| Molecular Formula | C19H21NO3 |
|---|---|
| Molecular Weight | 311.15 g/mol |
| LogP | 4.30384 |
| Topological Polar Surface Area | 59.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 311.15213 |
| Heavy Atoms | 23 |
| Complexity | 798.9412 |
Chemical Identifiers
| CAS Number | 7066-35-5 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)C2=C(C3=C(O2)CC(CC3=O)(C)C)C |
Product Overview
3,6,6-Trimethyl-N-(3-methylphenyl)-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide (CAS 7066-35-5), with molecular formula C19H21NO3 and molecular weight 311.15 g/mol. IUPAC: 3,6,6-trimethyl-N-(3-methylphenyl)-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide.
Chemical Property Profile of 3,6,6-Trimethyl-N-(3-methylphenyl)-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
Property Insights of 3,6,6-Trimethyl-N-(3-methylphenyl)-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
The XLogP value of 4.30384 indicates that 3,6,6-Trimethyl-N-(3-methylphenyl)-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.31 Ų, 3,6,6-Trimethyl-N-(3-methylphenyl)-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,6,6-Trimethyl-N-(3-methylphenyl)-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide 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 3,6,6-Trimethyl-N-(3-methylphenyl)-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide?
The CAS number of 3,6,6-Trimethyl-N-(3-methylphenyl)-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide is 7066-35-5.
What is the molecular formula of 3,6,6-Trimethyl-N-(3-methylphenyl)-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide?
The molecular formula of 3,6,6-Trimethyl-N-(3-methylphenyl)-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide is C19H21NO3.
What is the molecular weight of 3,6,6-Trimethyl-N-(3-methylphenyl)-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide?
The molecular weight of 3,6,6-Trimethyl-N-(3-methylphenyl)-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide is 311.15 g/mol.
Where can I buy 3,6,6-Trimethyl-N-(3-methylphenyl)-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide?
You can request a quote for 3,6,6-Trimethyl-N-(3-methylphenyl)-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 3,6,6-Trimethyl-N-(3-methylphenyl)-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3,6,6-Trimethyl-N-(3-methylphenyl)-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.