(2,4-dichlorophenyl) 3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxylate
TL;DR: (2,4-dichlorophenyl) 3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxylate (CAS 7066-37-7) is a chemical compound with molecular formula C18H16Cl2O4 and molecular weight 366.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-dichlorophenyl) 3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxylate
Also Known As: (2,4-dichlorophenyl) 3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxylate, (2,4-dichlorophenyl) 3,6,6-trimethyl-4-oxo-5,7-dihydrobenzofuran-2-carboxylate, 2,4-Dichlorophenyl 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate, 2,4-dichlorophenyl 3,6,6-trimethyl-4-oxo-5,6,7-trihydrobenzo[2,1-d]furan-2-car boxylate
| Molecular Formula | C18H16Cl2O4 |
|---|---|
| Molecular Weight | 366.04 g/mol |
| LogP | 5.26912 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 366.04257 |
| Heavy Atoms | 24 |
| Complexity | 848.9439 |
Chemical Identifiers
| CAS Number | 7066-37-7 |
|---|---|
| SMILES | CC1=C(OC2=C1C(=O)CC(C2)(C)C)C(=O)OC3=C(C=C(C=C3)Cl)Cl |
Product Overview
(2,4-dichlorophenyl) 3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxylate (CAS 7066-37-7), with molecular formula C18H16Cl2O4 and molecular weight 366.04 g/mol. IUPAC: (2,4-dichlorophenyl) 3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxylate.
Chemical Property Profile of (2,4-dichlorophenyl) 3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxylate
Property Insights of (2,4-dichlorophenyl) 3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxylate
The XLogP value of 5.26912 indicates that (2,4-dichlorophenyl) 3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.51 Ų, (2,4-dichlorophenyl) 3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2,4-dichlorophenyl) 3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxylate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2,4-dichlorophenyl) 3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxylate?
The CAS number of (2,4-dichlorophenyl) 3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxylate is 7066-37-7.
What is the molecular formula of (2,4-dichlorophenyl) 3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxylate?
The molecular formula of (2,4-dichlorophenyl) 3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxylate is C18H16Cl2O4.
What is the molecular weight of (2,4-dichlorophenyl) 3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxylate?
The molecular weight of (2,4-dichlorophenyl) 3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxylate is 366.04 g/mol.
Where can I buy (2,4-dichlorophenyl) 3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxylate?
You can request a quote for (2,4-dichlorophenyl) 3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,4-dichlorophenyl) 3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (2,4-dichlorophenyl) 3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.