3,5-Dimethylphenyl 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate
TL;DR: 3,5-Dimethylphenyl 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate (CAS 7066-28-6) is a chemical compound with molecular formula C20H22O4 and molecular weight 326.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-dimethylphenyl) 3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxylate
Also Known As: 3,5-Dimethylphenyl 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate, (3,5-dimethylphenyl) 3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxylate, (3,5-dimethylphenyl) 3,6,6-trimethyl-4-oxo-5,7-dihydrobenzofuran-2-carboxylate
| Molecular Formula | C20H22O4 |
|---|---|
| Molecular Weight | 326.15 g/mol |
| LogP | 4.57916 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 326.1518 |
| Heavy Atoms | 24 |
| Complexity | 819.314 |
Chemical Identifiers
| CAS Number | 7066-28-6 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)OC(=O)C2=C(C3=C(O2)CC(CC3=O)(C)C)C)C |
Product Overview
3,5-Dimethylphenyl 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate (CAS 7066-28-6), with molecular formula C20H22O4 and molecular weight 326.15 g/mol. IUPAC: (3,5-dimethylphenyl) 3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxylate.
Chemical Property Profile of 3,5-Dimethylphenyl 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate
Property Insights of 3,5-Dimethylphenyl 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate
The XLogP value of 4.57916 indicates that 3,5-Dimethylphenyl 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-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, 3,5-Dimethylphenyl 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dimethylphenyl 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate has 0 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 3,5-Dimethylphenyl 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate?
The CAS number of 3,5-Dimethylphenyl 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate is 7066-28-6.
What is the molecular formula of 3,5-Dimethylphenyl 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate?
The molecular formula of 3,5-Dimethylphenyl 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate is C20H22O4.
What is the molecular weight of 3,5-Dimethylphenyl 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate?
The molecular weight of 3,5-Dimethylphenyl 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate is 326.15 g/mol.
Where can I buy 3,5-Dimethylphenyl 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate?
You can request a quote for 3,5-Dimethylphenyl 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-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 3,5-Dimethylphenyl 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethylphenyl 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.