Ethyl 3-acetamido-4,6-dichloro-2-nitrobenzoate
TL;DR: Ethyl 3-acetamido-4,6-dichloro-2-nitrobenzoate (CAS 372172-99-1) is a chemical compound with molecular formula C11H10Cl2N2O5 and molecular weight 320.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-acetamido-4,6-dichloro-2-nitrobenzoate
Also Known As: ethyl 3-acetamido-4,6-dichloro-2-nitrobenzoate, BIM-0042511.P001, ethyl 3-(acetylamino)-4,6-dichloro-2-nitrobenzoate
| Molecular Formula | C11H10Cl2N2O5 |
|---|---|
| Molecular Weight | 320.00 g/mol |
| LogP | 3.0367 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.99667 |
| Heavy Atoms | 20 |
| Complexity | 588.6665 |
Chemical Identifiers
| CAS Number | 372172-99-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(C=C1Cl)Cl)NC(=O)C)[N+](=O)[O-] |
Product Overview
Ethyl 3-acetamido-4,6-dichloro-2-nitrobenzoate (CAS 372172-99-1), with molecular formula C11H10Cl2N2O5 and molecular weight 320.00 g/mol. IUPAC: ethyl 3-acetamido-4,6-dichloro-2-nitrobenzoate.
Chemical Property Profile of Ethyl 3-acetamido-4,6-dichloro-2-nitrobenzoate
Property Insights of Ethyl 3-acetamido-4,6-dichloro-2-nitrobenzoate
The XLogP value of 3.0367 indicates that Ethyl 3-acetamido-4,6-dichloro-2-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-acetamido-4,6-dichloro-2-nitrobenzoate. Following Lipinski's Rule of Five, Ethyl 3-acetamido-4,6-dichloro-2-nitrobenzoate 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 Ethyl 3-acetamido-4,6-dichloro-2-nitrobenzoate?
The CAS number of Ethyl 3-acetamido-4,6-dichloro-2-nitrobenzoate is 372172-99-1.
What is the molecular formula of Ethyl 3-acetamido-4,6-dichloro-2-nitrobenzoate?
The molecular formula of Ethyl 3-acetamido-4,6-dichloro-2-nitrobenzoate is C11H10Cl2N2O5.
What is the molecular weight of Ethyl 3-acetamido-4,6-dichloro-2-nitrobenzoate?
The molecular weight of Ethyl 3-acetamido-4,6-dichloro-2-nitrobenzoate is 320.00 g/mol.
Where can I buy Ethyl 3-acetamido-4,6-dichloro-2-nitrobenzoate?
You can request a quote for Ethyl 3-acetamido-4,6-dichloro-2-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-acetamido-4,6-dichloro-2-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-acetamido-4,6-dichloro-2-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.