Ethyl 4-(ethylamino)-3-nitrobenzoate
TL;DR: Ethyl 4-(ethylamino)-3-nitrobenzoate (CAS 91182-00-2) is a chemical compound with molecular formula C11H14N2O4 and molecular weight 238.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(ethylamino)-3-nitrobenzoate
Also Known As: 4-Ethylamino-3-nitro-benzoic acid ethyl ester, ethyl 4-(ethylamino)-3-nitrobenzoate, 4-nitro-2-thiophenecarboxylic acid, ethyl 4-ethylamino-3-nitrobenzoate, ethyl4-(ethylamino)-3-nitrobenzoate
| Molecular Formula | C11H14N2O4 |
|---|---|
| Molecular Weight | 238.10 g/mol |
| LogP | 2.2033 |
| Topological Polar Surface Area | 81.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 238.09535 |
| Heavy Atoms | 17 |
| Complexity | 431.47964 |
Chemical Identifiers
| CAS Number | 91182-00-2 |
|---|---|
| SMILES | CCNC1=C(C=C(C=C1)C(=O)OCC)[N+](=O)[O-] |
Product Overview
Ethyl 4-(ethylamino)-3-nitrobenzoate (CAS 91182-00-2), with molecular formula C11H14N2O4 and molecular weight 238.10 g/mol. IUPAC: ethyl 4-(ethylamino)-3-nitrobenzoate.
Chemical Property Profile of Ethyl 4-(ethylamino)-3-nitrobenzoate
Property Insights of Ethyl 4-(ethylamino)-3-nitrobenzoate
The XLogP value of 2.2033 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(ethylamino)-3-nitrobenzoate. The TPSA of 81.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(ethylamino)-3-nitrobenzoate. Following Lipinski's Rule of Five, Ethyl 4-(ethylamino)-3-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 4-(ethylamino)-3-nitrobenzoate?
The CAS number of Ethyl 4-(ethylamino)-3-nitrobenzoate is 91182-00-2.
What is the molecular formula of Ethyl 4-(ethylamino)-3-nitrobenzoate?
The molecular formula of Ethyl 4-(ethylamino)-3-nitrobenzoate is C11H14N2O4.
What is the molecular weight of Ethyl 4-(ethylamino)-3-nitrobenzoate?
The molecular weight of Ethyl 4-(ethylamino)-3-nitrobenzoate is 238.10 g/mol.
Where can I buy Ethyl 4-(ethylamino)-3-nitrobenzoate?
You can request a quote for Ethyl 4-(ethylamino)-3-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(ethylamino)-3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(ethylamino)-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.