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Methyl 3-[(3-fluorophenyl)carbonylamino]-4-(methoxycarbonyl)benzoate
TL;DR: Methyl 3-[(3-fluorophenyl)carbonylamino]-4-(methoxycarbonyl)benzoate (CAS 541525-00-2) is a chemical compound with molecular formula C17H14FNO5 and molecular weight 331.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[(3-fluorobenzoyl)amino]benzene-1,4-dicarboxylate
Also Known As: dimethyl 2-(3-fluorobenzamido)terephthalate, DIMETHYL 2-[(3-FLUOROBENZOYL)AMINO]TEREPHTHALATE, dimethyl 2-[(3-fluorobenzoyl)amino]benzene-1,4-dicarboxylate, methyl 3-[(3-fluorophenyl)carbonylamino]-4-(methoxycarbonyl)benzoate, dimethyl 2-{[(3-fluorophenyl)carbonyl]amino}benzene-1,4-dicarboxylate
| Molecular Formula | C17H14FNO5 |
|---|---|
| Molecular Weight | 331.09 g/mol |
| LogP | 2.6512 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.0856 |
| Heavy Atoms | 24 |
| Complexity | 803.31793 |
Chemical Identifiers
| CAS Number | 541525-00-2 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C2=CC(=CC=C2)F |
Product Overview
Methyl 3-[(3-fluorophenyl)carbonylamino]-4-(methoxycarbonyl)benzoate (CAS 541525-00-2), with molecular formula C17H14FNO5 and molecular weight 331.09 g/mol. IUPAC: dimethyl 2-[(3-fluorobenzoyl)amino]benzene-1,4-dicarboxylate.
Chemical Property Profile of Methyl 3-[(3-fluorophenyl)carbonylamino]-4-(methoxycarbonyl)benzoate
Property Insights of Methyl 3-[(3-fluorophenyl)carbonylamino]-4-(methoxycarbonyl)benzoate
The XLogP value of 2.6512 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-[(3-fluorophenyl)carbonylamino]-4-(methoxycarbonyl)benzoate. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-[(3-fluorophenyl)carbonylamino]-4-(methoxycarbonyl)benzoate. Following Lipinski's Rule of Five, Methyl 3-[(3-fluorophenyl)carbonylamino]-4-(methoxycarbonyl)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 3-[(3-fluorophenyl)carbonylamino]-4-(methoxycarbonyl)benzoate?
The CAS number of Methyl 3-[(3-fluorophenyl)carbonylamino]-4-(methoxycarbonyl)benzoate is 541525-00-2.
What is the molecular formula of Methyl 3-[(3-fluorophenyl)carbonylamino]-4-(methoxycarbonyl)benzoate?
The molecular formula of Methyl 3-[(3-fluorophenyl)carbonylamino]-4-(methoxycarbonyl)benzoate is C17H14FNO5.
What is the molecular weight of Methyl 3-[(3-fluorophenyl)carbonylamino]-4-(methoxycarbonyl)benzoate?
The molecular weight of Methyl 3-[(3-fluorophenyl)carbonylamino]-4-(methoxycarbonyl)benzoate is 331.09 g/mol.
Where can I buy Methyl 3-[(3-fluorophenyl)carbonylamino]-4-(methoxycarbonyl)benzoate?
You can request a quote for Methyl 3-[(3-fluorophenyl)carbonylamino]-4-(methoxycarbonyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-[(3-fluorophenyl)carbonylamino]-4-(methoxycarbonyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-[(3-fluorophenyl)carbonylamino]-4-(methoxycarbonyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.