Ethyl 4-(3,5-dinitrobenzamido)benzoate
TL;DR: Ethyl 4-(3,5-dinitrobenzamido)benzoate (CAS 36360-13-1) is a chemical compound with molecular formula C16H13N3O7 and molecular weight 359.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(3,5-dinitrobenzoyl)amino]benzoate
Also Known As: ethyl 4-(3,5-dinitrobenzamido)benzoate, Ethyl 4-[(3,5-dinitrobenzoyl)amino]benzoate, F1107-0139, 4-(3,5-DINITRO-BENZOYLAMINO)-BENZOIC ACID ETHYL ESTER
| Molecular Formula | C16H13N3O7 |
|---|---|
| Molecular Weight | 359.08 g/mol |
| LogP | 2.932 |
| Topological Polar Surface Area | 141.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 359.07535 |
| Heavy Atoms | 26 |
| Complexity | 845.6622 |
Chemical Identifiers
| CAS Number | 36360-13-1 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
Ethyl 4-(3,5-dinitrobenzamido)benzoate (CAS 36360-13-1), with molecular formula C16H13N3O7 and molecular weight 359.08 g/mol. IUPAC: ethyl 4-[(3,5-dinitrobenzoyl)amino]benzoate.
Chemical Property Profile of Ethyl 4-(3,5-dinitrobenzamido)benzoate
Property Insights of Ethyl 4-(3,5-dinitrobenzamido)benzoate
The XLogP value of 2.932 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(3,5-dinitrobenzamido)benzoate. The TPSA of 141.68 Ų indicates high polarity, suggesting Ethyl 4-(3,5-dinitrobenzamido)benzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethyl 4-(3,5-dinitrobenzamido)benzoate has 1 hydrogen bond donor(s) and 7 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 Ethyl 4-(3,5-dinitrobenzamido)benzoate?
The CAS number of Ethyl 4-(3,5-dinitrobenzamido)benzoate is 36360-13-1.
What is the molecular formula of Ethyl 4-(3,5-dinitrobenzamido)benzoate?
The molecular formula of Ethyl 4-(3,5-dinitrobenzamido)benzoate is C16H13N3O7.
What is the molecular weight of Ethyl 4-(3,5-dinitrobenzamido)benzoate?
The molecular weight of Ethyl 4-(3,5-dinitrobenzamido)benzoate is 359.08 g/mol.
Where can I buy Ethyl 4-(3,5-dinitrobenzamido)benzoate?
You can request a quote for Ethyl 4-(3,5-dinitrobenzamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(3,5-dinitrobenzamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(3,5-dinitrobenzamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.