dimethyl 2-(5-(4-fluorophenyl)furan-2-carboxamido)terephthalate
TL;DR: dimethyl 2-(5-(4-fluorophenyl)furan-2-carboxamido)terephthalate (CAS 831247-09-7) is a chemical compound with molecular formula C21H16FNO6 and molecular weight 397.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]benzene-1,4-dicarboxylate
Also Known As: dimethyl 2-(5-(4-fluorophenyl)furan-2-carboxamido)terephthalate, dimethyl 2-({[5-(4-fluorophenyl)furan-2-yl]carbonyl}amino)benzene-1,4-dicarboxylate, dimethyl 2-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]benzene-1,4-dicarboxylate, methyl 3-{[5-(4-fluorophenyl)(2-furyl)]carbonylamino}-4-(methoxycarbonyl)benzo ate
| Molecular Formula | C21H16FNO6 |
|---|---|
| Molecular Weight | 397.10 g/mol |
| LogP | 3.9112 |
| Topological Polar Surface Area | 94.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.09616 |
| Heavy Atoms | 29 |
| Complexity | 1071.0303 |
Chemical Identifiers
| CAS Number | 831247-09-7 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)F |
Product Overview
dimethyl 2-(5-(4-fluorophenyl)furan-2-carboxamido)terephthalate (CAS 831247-09-7), with molecular formula C21H16FNO6 and molecular weight 397.10 g/mol. IUPAC: dimethyl 2-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]benzene-1,4-dicarboxylate.
Chemical Property Profile of dimethyl 2-(5-(4-fluorophenyl)furan-2-carboxamido)terephthalate
Property Insights of dimethyl 2-(5-(4-fluorophenyl)furan-2-carboxamido)terephthalate
The XLogP value of 3.9112 indicates that dimethyl 2-(5-(4-fluorophenyl)furan-2-carboxamido)terephthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.84 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 2-(5-(4-fluorophenyl)furan-2-carboxamido)terephthalate. Following Lipinski's Rule of Five, dimethyl 2-(5-(4-fluorophenyl)furan-2-carboxamido)terephthalate has 1 hydrogen bond donor(s) and 6 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 dimethyl 2-(5-(4-fluorophenyl)furan-2-carboxamido)terephthalate?
The CAS number of dimethyl 2-(5-(4-fluorophenyl)furan-2-carboxamido)terephthalate is 831247-09-7.
What is the molecular formula of dimethyl 2-(5-(4-fluorophenyl)furan-2-carboxamido)terephthalate?
The molecular formula of dimethyl 2-(5-(4-fluorophenyl)furan-2-carboxamido)terephthalate is C21H16FNO6.
What is the molecular weight of dimethyl 2-(5-(4-fluorophenyl)furan-2-carboxamido)terephthalate?
The molecular weight of dimethyl 2-(5-(4-fluorophenyl)furan-2-carboxamido)terephthalate is 397.10 g/mol.
Where can I buy dimethyl 2-(5-(4-fluorophenyl)furan-2-carboxamido)terephthalate?
You can request a quote for dimethyl 2-(5-(4-fluorophenyl)furan-2-carboxamido)terephthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 2-(5-(4-fluorophenyl)furan-2-carboxamido)terephthalate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 2-(5-(4-fluorophenyl)furan-2-carboxamido)terephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.