methyl 6-(4-chlorophenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate
TL;DR: methyl 6-(4-chlorophenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate (CAS 900259-30-5) is a chemical compound with molecular formula C17H15ClO4 and molecular weight 318.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-(4-chlorophenyl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxylate
Also Known As: methyl 6-(4-chlorophenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate, methyl 6-(4-chlorophenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydrobenzofuran-2-carboxylate, methyl 6-(4-chlorophenyl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxylate
| Molecular Formula | C17H15ClO4 |
|---|---|
| Molecular Weight | 318.07 g/mol |
| LogP | 3.94072 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 318.0659 |
| Heavy Atoms | 22 |
| Complexity | 742.7646 |
Chemical Identifiers
| CAS Number | 900259-30-5 |
|---|---|
| SMILES | CC1=C(OC2=C1C(=O)CC(C2)C3=CC=C(C=C3)Cl)C(=O)OC |
Product Overview
methyl 6-(4-chlorophenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate (CAS 900259-30-5), with molecular formula C17H15ClO4 and molecular weight 318.07 g/mol. IUPAC: methyl 6-(4-chlorophenyl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxylate.
Chemical Property Profile of methyl 6-(4-chlorophenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate
Property Insights of methyl 6-(4-chlorophenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate
The XLogP value of 3.94072 indicates that methyl 6-(4-chlorophenyl)-3-methyl-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, methyl 6-(4-chlorophenyl)-3-methyl-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, methyl 6-(4-chlorophenyl)-3-methyl-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 methyl 6-(4-chlorophenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate?
The CAS number of methyl 6-(4-chlorophenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate is 900259-30-5.
What is the molecular formula of methyl 6-(4-chlorophenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate?
The molecular formula of methyl 6-(4-chlorophenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate is C17H15ClO4.
What is the molecular weight of methyl 6-(4-chlorophenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate?
The molecular weight of methyl 6-(4-chlorophenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate is 318.07 g/mol.
Where can I buy methyl 6-(4-chlorophenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate?
You can request a quote for methyl 6-(4-chlorophenyl)-3-methyl-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 methyl 6-(4-chlorophenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 6-(4-chlorophenyl)-3-methyl-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.