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Dimethyl 2-{[(4-fluoroanilino)carbonyl]amino}terephthalate
TL;DR: Dimethyl 2-{[(4-fluoroanilino)carbonyl]amino}terephthalate (CAS 701953-62-0) is a chemical compound with molecular formula C17H15FN2O5 and molecular weight 346.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[(4-fluorophenyl)carbamoylamino]benzene-1,4-dicarboxylate
Also Known As: dimethyl 2-{[(4-fluoroanilino)carbonyl]amino}terephthalate, dimethyl 2-[(4-fluorophenyl)carbamoylamino]benzene-1,4-dicarboxylate, dimethyl 2-{[(4-fluorophenyl)carbamoyl]amino}benzene-1,4-dicarboxylate, methyl 3-{[(4-fluorophenyl)amino]carbonylamino}-4-(methoxycarbonyl)benzoate
| Molecular Formula | C17H15FN2O5 |
|---|---|
| Molecular Weight | 346.10 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 93.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 346.0965 |
| Heavy Atoms | 25 |
| Complexity | 493.0 |
Chemical Identifiers
| CAS Number | 701953-62-0 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)NC2=CC=C(C=C2)F |
| InChIKey | SJZOUXZVYJEWAE-UHFFFAOYSA-N |
Product Overview
Dimethyl 2-{[(4-fluoroanilino)carbonyl]amino}terephthalate (CAS 701953-62-0), with molecular formula C17H15FN2O5 and molecular weight 346.10 g/mol. IUPAC: dimethyl 2-[(4-fluorophenyl)carbamoylamino]benzene-1,4-dicarboxylate.
Chemical Property Profile of Dimethyl 2-{[(4-fluoroanilino)carbonyl]amino}terephthalate
Property Insights of Dimethyl 2-{[(4-fluoroanilino)carbonyl]amino}terephthalate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-{[(4-fluoroanilino)carbonyl]amino}terephthalate. The TPSA of 93.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-{[(4-fluoroanilino)carbonyl]amino}terephthalate. Following Lipinski's Rule of Five, Dimethyl 2-{[(4-fluoroanilino)carbonyl]amino}terephthalate has 2 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-{[(4-fluoroanilino)carbonyl]amino}terephthalate?
The CAS number of Dimethyl 2-{[(4-fluoroanilino)carbonyl]amino}terephthalate is 701953-62-0.
What is the molecular formula of Dimethyl 2-{[(4-fluoroanilino)carbonyl]amino}terephthalate?
The molecular formula of Dimethyl 2-{[(4-fluoroanilino)carbonyl]amino}terephthalate is C17H15FN2O5.
What is the molecular weight of Dimethyl 2-{[(4-fluoroanilino)carbonyl]amino}terephthalate?
The molecular weight of Dimethyl 2-{[(4-fluoroanilino)carbonyl]amino}terephthalate is 346.10 g/mol.
Where can I buy Dimethyl 2-{[(4-fluoroanilino)carbonyl]amino}terephthalate?
You can request a quote for Dimethyl 2-{[(4-fluoroanilino)carbonyl]amino}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-{[(4-fluoroanilino)carbonyl]amino}terephthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-{[(4-fluoroanilino)carbonyl]amino}terephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.