![methyl 4-{[(3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-yl)carbonyl]amino}benzoate structure](/static/products/879/879914-43-9.png)
methyl 4-{[(3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-yl)carbonyl]amino}benzoate
TL;DR: methyl 4-{[(3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-yl)carbonyl]amino}benzoate (CAS 879914-43-9) is a chemical compound with molecular formula C18H17NO5 and molecular weight 327.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carbonyl)amino]benzoate
Also Known As: methyl 4-{[(3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-yl)carbonyl]amino}benzoate, methyl 4-(3-methyl-4-oxo-4,5,6,7-tetrahydrobenzofuran-2-carboxamido)benzoate, methyl 4-[(3-methyl-4-oxo-5,6,7-trihydrobenzo[2,1-d]furan-2-yl)carbonylamino]b enzoate, methyl 4-[(3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carbonyl)amino]benzoate
| Molecular Formula | C18H17NO5 |
|---|---|
| Molecular Weight | 327.11 g/mol |
| LogP | 3.14592 |
| Topological Polar Surface Area | 85.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 327.1107 |
| Heavy Atoms | 24 |
| Complexity | 816.6798 |
Chemical Identifiers
| CAS Number | 879914-43-9 |
|---|---|
| SMILES | CC1=C(OC2=C1C(=O)CCC2)C(=O)NC3=CC=C(C=C3)C(=O)OC |
Product Overview
methyl 4-{[(3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-yl)carbonyl]amino}benzoate (CAS 879914-43-9), with molecular formula C18H17NO5 and molecular weight 327.11 g/mol. IUPAC: methyl 4-[(3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carbonyl)amino]benzoate.
Chemical Property Profile of methyl 4-{[(3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-yl)carbonyl]amino}benzoate
Property Insights of methyl 4-{[(3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-yl)carbonyl]amino}benzoate
The XLogP value of 3.14592 indicates that methyl 4-{[(3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-yl)carbonyl]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.61 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-{[(3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-yl)carbonyl]amino}benzoate. Following Lipinski's Rule of Five, methyl 4-{[(3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-yl)carbonyl]amino}benzoate has 1 hydrogen bond donor(s) and 5 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 4-{[(3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-yl)carbonyl]amino}benzoate?
The CAS number of methyl 4-{[(3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-yl)carbonyl]amino}benzoate is 879914-43-9.
What is the molecular formula of methyl 4-{[(3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-yl)carbonyl]amino}benzoate?
The molecular formula of methyl 4-{[(3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-yl)carbonyl]amino}benzoate is C18H17NO5.
What is the molecular weight of methyl 4-{[(3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-yl)carbonyl]amino}benzoate?
The molecular weight of methyl 4-{[(3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-yl)carbonyl]amino}benzoate is 327.11 g/mol.
Where can I buy methyl 4-{[(3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-yl)carbonyl]amino}benzoate?
You can request a quote for methyl 4-{[(3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-yl)carbonyl]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-{[(3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-yl)carbonyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-{[(3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-yl)carbonyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.