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Dimethyl 5-{[(2-chloro-6-fluorophenyl)acetyl]amino}benzene-1,3-dicarboxylate
TL;DR: Dimethyl 5-{[(2-chloro-6-fluorophenyl)acetyl]amino}benzene-1,3-dicarboxylate (CAS 710987-80-7) is a chemical compound with molecular formula C18H15ClFNO5 and molecular weight 379.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]benzene-1,3-dicarboxylate
Also Known As: dimethyl 5-(2-(2-chloro-6-fluorophenyl)acetamido)isophthalate, DIMETHYL 5-{[2-(2-CHLORO-6-FLUOROPHENYL)ACETYL]AMINO}ISOPHTHALATE, dimethyl 5-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]benzene-1,3-dicarboxylate, dimethyl 5-{[(2-chloro-6-fluorophenyl)acetyl]amino}benzene-1,3-dicarboxylate, methyl 5-[2-(2-chloro-6-fluorophenyl)acetylamino]-3-(methoxycarbonyl)benzoate
| Molecular Formula | C18H15ClFNO5 |
|---|---|
| Molecular Weight | 379.06 g/mol |
| LogP | 3.2335 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 379.0623 |
| Heavy Atoms | 26 |
| Complexity | 814.1551 |
Chemical Identifiers
| CAS Number | 710987-80-7 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)NC(=O)CC2=C(C=CC=C2Cl)F)C(=O)OC |
Product Overview
Dimethyl 5-{[(2-chloro-6-fluorophenyl)acetyl]amino}benzene-1,3-dicarboxylate (CAS 710987-80-7), with molecular formula C18H15ClFNO5 and molecular weight 379.06 g/mol. IUPAC: dimethyl 5-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of Dimethyl 5-{[(2-chloro-6-fluorophenyl)acetyl]amino}benzene-1,3-dicarboxylate
Property Insights of Dimethyl 5-{[(2-chloro-6-fluorophenyl)acetyl]amino}benzene-1,3-dicarboxylate
The XLogP value of 3.2335 indicates that Dimethyl 5-{[(2-chloro-6-fluorophenyl)acetyl]amino}benzene-1,3-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 5-{[(2-chloro-6-fluorophenyl)acetyl]amino}benzene-1,3-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 5-{[(2-chloro-6-fluorophenyl)acetyl]amino}benzene-1,3-dicarboxylate 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 Dimethyl 5-{[(2-chloro-6-fluorophenyl)acetyl]amino}benzene-1,3-dicarboxylate?
The CAS number of Dimethyl 5-{[(2-chloro-6-fluorophenyl)acetyl]amino}benzene-1,3-dicarboxylate is 710987-80-7.
What is the molecular formula of Dimethyl 5-{[(2-chloro-6-fluorophenyl)acetyl]amino}benzene-1,3-dicarboxylate?
The molecular formula of Dimethyl 5-{[(2-chloro-6-fluorophenyl)acetyl]amino}benzene-1,3-dicarboxylate is C18H15ClFNO5.
What is the molecular weight of Dimethyl 5-{[(2-chloro-6-fluorophenyl)acetyl]amino}benzene-1,3-dicarboxylate?
The molecular weight of Dimethyl 5-{[(2-chloro-6-fluorophenyl)acetyl]amino}benzene-1,3-dicarboxylate is 379.06 g/mol.
Where can I buy Dimethyl 5-{[(2-chloro-6-fluorophenyl)acetyl]amino}benzene-1,3-dicarboxylate?
You can request a quote for Dimethyl 5-{[(2-chloro-6-fluorophenyl)acetyl]amino}benzene-1,3-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 5-{[(2-chloro-6-fluorophenyl)acetyl]amino}benzene-1,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 5-{[(2-chloro-6-fluorophenyl)acetyl]amino}benzene-1,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.