Ethyl 2-amino-4-chloro-5-nitrobenzoate
TL;DR: Ethyl 2-amino-4-chloro-5-nitrobenzoate (CAS 70631-22-0) is a chemical compound with molecular formula C9H9ClN2O4 and molecular weight 244.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-4-chloro-5-nitrobenzoate
Also Known As: ethyl 2-amino-4-chloro-5-nitrobenzoate
| Molecular Formula | C9H9ClN2O4 |
|---|---|
| Molecular Weight | 244.03 g/mol |
| LogP | 2.0071 |
| Topological Polar Surface Area | 95.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.02509 |
| Heavy Atoms | 16 |
| Complexity | 447.38028 |
Chemical Identifiers
| CAS Number | 70631-22-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(C=C1N)Cl)[N+](=O)[O-] |
Product Overview
Ethyl 2-amino-4-chloro-5-nitrobenzoate (CAS 70631-22-0), with molecular formula C9H9ClN2O4 and molecular weight 244.03 g/mol. IUPAC: ethyl 2-amino-4-chloro-5-nitrobenzoate.
Chemical Property Profile of Ethyl 2-amino-4-chloro-5-nitrobenzoate
Property Insights of Ethyl 2-amino-4-chloro-5-nitrobenzoate
The XLogP value of 2.0071 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-amino-4-chloro-5-nitrobenzoate. The TPSA of 95.46 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-amino-4-chloro-5-nitrobenzoate. Following Lipinski's Rule of Five, Ethyl 2-amino-4-chloro-5-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 2-amino-4-chloro-5-nitrobenzoate?
The CAS number of Ethyl 2-amino-4-chloro-5-nitrobenzoate is 70631-22-0.
What is the molecular formula of Ethyl 2-amino-4-chloro-5-nitrobenzoate?
The molecular formula of Ethyl 2-amino-4-chloro-5-nitrobenzoate is C9H9ClN2O4.
What is the molecular weight of Ethyl 2-amino-4-chloro-5-nitrobenzoate?
The molecular weight of Ethyl 2-amino-4-chloro-5-nitrobenzoate is 244.03 g/mol.
Where can I buy Ethyl 2-amino-4-chloro-5-nitrobenzoate?
You can request a quote for Ethyl 2-amino-4-chloro-5-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-amino-4-chloro-5-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-amino-4-chloro-5-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.