N-(3,4-Dichlorophenyl)-3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
TL;DR: N-(3,4-Dichlorophenyl)-3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide (CAS 7066-31-1) is a chemical compound with molecular formula C18H17Cl2NO3 and molecular weight 365.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-dichlorophenyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide
Also Known As: N-(3,4-Dichlorophenyl)-3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide, N-(3,4-dichlorophenyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide, N-(3,4-dichlorophenyl)-3,6,6-trimethyl-4-oxo-5,7-dihydrobenzofuran-2-carboxamide
| Molecular Formula | C18H17Cl2NO3 |
|---|---|
| Molecular Weight | 365.06 g/mol |
| LogP | 5.30222 |
| Topological Polar Surface Area | 59.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 365.05856 |
| Heavy Atoms | 24 |
| Complexity | 852.189 |
Chemical Identifiers
| CAS Number | 7066-31-1 |
|---|---|
| SMILES | CC1=C(OC2=C1C(=O)CC(C2)(C)C)C(=O)NC3=CC(=C(C=C3)Cl)Cl |
Product Overview
N-(3,4-Dichlorophenyl)-3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide (CAS 7066-31-1), with molecular formula C18H17Cl2NO3 and molecular weight 365.06 g/mol. IUPAC: N-(3,4-dichlorophenyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide.
Chemical Property Profile of N-(3,4-Dichlorophenyl)-3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
Property Insights of N-(3,4-Dichlorophenyl)-3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
The XLogP value of 5.30222 indicates that N-(3,4-Dichlorophenyl)-3,6,6-trimethyl-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, N-(3,4-Dichlorophenyl)-3,6,6-trimethyl-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, N-(3,4-Dichlorophenyl)-3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(3,4-Dichlorophenyl)-3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide?
The CAS number of N-(3,4-Dichlorophenyl)-3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide is 7066-31-1.
What is the molecular formula of N-(3,4-Dichlorophenyl)-3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide?
The molecular formula of N-(3,4-Dichlorophenyl)-3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide is C18H17Cl2NO3.
What is the molecular weight of N-(3,4-Dichlorophenyl)-3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide?
The molecular weight of N-(3,4-Dichlorophenyl)-3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide is 365.06 g/mol.
Where can I buy N-(3,4-Dichlorophenyl)-3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide?
You can request a quote for N-(3,4-Dichlorophenyl)-3,6,6-trimethyl-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-(3,4-Dichlorophenyl)-3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3,4-Dichlorophenyl)-3,6,6-trimethyl-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.