Dimethyl 5-(3-bromo-4-ethoxybenzamido)benzene-1,3-dicarboxylate
TL;DR: Dimethyl 5-(3-bromo-4-ethoxybenzamido)benzene-1,3-dicarboxylate (CAS 6216-94-0) is a chemical compound with molecular formula C19H18BrNO6 and molecular weight 435.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[(3-bromo-4-ethoxybenzoyl)amino]benzene-1,3-dicarboxylate
Also Known As: BAS 02245368, AB00104411-01, dimethyl 5-[(3-bromo-4-ethoxybenzoyl)amino]isophthalate, Dimethyl 5-(3-bromo-4-ethoxybenzamido)benzene-1,3-dicarboxylate, 5-(3-Bromo-4-ethoxy-benzoylamino)-isophthalic acid dimethyl ester
| Molecular Formula | C19H18BrNO6 |
|---|---|
| Molecular Weight | 435.03 g/mol |
| LogP | 3.6733 |
| Topological Polar Surface Area | 90.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 435.03174 |
| Heavy Atoms | 27 |
| Complexity | 846.2488 |
Chemical Identifiers
| CAS Number | 6216-94-0 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)Br |
Product Overview
Dimethyl 5-(3-bromo-4-ethoxybenzamido)benzene-1,3-dicarboxylate (CAS 6216-94-0), with molecular formula C19H18BrNO6 and molecular weight 435.03 g/mol. IUPAC: dimethyl 5-[(3-bromo-4-ethoxybenzoyl)amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of Dimethyl 5-(3-bromo-4-ethoxybenzamido)benzene-1,3-dicarboxylate
Property Insights of Dimethyl 5-(3-bromo-4-ethoxybenzamido)benzene-1,3-dicarboxylate
The XLogP value of 3.6733 indicates that Dimethyl 5-(3-bromo-4-ethoxybenzamido)benzene-1,3-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.93 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 5-(3-bromo-4-ethoxybenzamido)benzene-1,3-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 5-(3-bromo-4-ethoxybenzamido)benzene-1,3-dicarboxylate 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 5-(3-bromo-4-ethoxybenzamido)benzene-1,3-dicarboxylate?
The CAS number of Dimethyl 5-(3-bromo-4-ethoxybenzamido)benzene-1,3-dicarboxylate is 6216-94-0.
What is the molecular formula of Dimethyl 5-(3-bromo-4-ethoxybenzamido)benzene-1,3-dicarboxylate?
The molecular formula of Dimethyl 5-(3-bromo-4-ethoxybenzamido)benzene-1,3-dicarboxylate is C19H18BrNO6.
What is the molecular weight of Dimethyl 5-(3-bromo-4-ethoxybenzamido)benzene-1,3-dicarboxylate?
The molecular weight of Dimethyl 5-(3-bromo-4-ethoxybenzamido)benzene-1,3-dicarboxylate is 435.03 g/mol.
Where can I buy Dimethyl 5-(3-bromo-4-ethoxybenzamido)benzene-1,3-dicarboxylate?
You can request a quote for Dimethyl 5-(3-bromo-4-ethoxybenzamido)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-(3-bromo-4-ethoxybenzamido)benzene-1,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 5-(3-bromo-4-ethoxybenzamido)benzene-1,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.