Ethyl 4-(cyclohexylamino)-3-nitrobenzoate
TL;DR: Ethyl 4-(cyclohexylamino)-3-nitrobenzoate (CAS 87815-77-8) is a chemical compound with molecular formula C15H20N2O4 and molecular weight 292.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(cyclohexylamino)-3-nitrobenzoate
Also Known As: ethyl 4-(cyclohexylamino)-3-nitrobenzoate, Benzoic acid, 4-(cyclohexylamino)-3-nitro-, ethyl ester, ethyl4-(cyclohexylamino)-3-nitrobenzoate, ethyl 4-(cyclohexylamino)-3-nitro-benzoate, 4-Cyclohexylamino-3-nitrobenzoic Acid Ethyl Ester
| Molecular Formula | C15H20N2O4 |
|---|---|
| Molecular Weight | 292.14 g/mol |
| LogP | 3.5161 |
| Topological Polar Surface Area | 81.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 292.1423 |
| Heavy Atoms | 21 |
| Complexity | 524.40497 |
Chemical Identifiers
| CAS Number | 87815-77-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(C=C1)NC2CCCCC2)[N+](=O)[O-] |
Product Overview
Ethyl 4-(cyclohexylamino)-3-nitrobenzoate (CAS 87815-77-8), with molecular formula C15H20N2O4 and molecular weight 292.14 g/mol. IUPAC: ethyl 4-(cyclohexylamino)-3-nitrobenzoate.
Chemical Property Profile of Ethyl 4-(cyclohexylamino)-3-nitrobenzoate
Property Insights of Ethyl 4-(cyclohexylamino)-3-nitrobenzoate
The XLogP value of 3.5161 indicates that Ethyl 4-(cyclohexylamino)-3-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(cyclohexylamino)-3-nitrobenzoate. Following Lipinski's Rule of Five, Ethyl 4-(cyclohexylamino)-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-(cyclohexylamino)-3-nitrobenzoate?
The CAS number of Ethyl 4-(cyclohexylamino)-3-nitrobenzoate is 87815-77-8.
What is the molecular formula of Ethyl 4-(cyclohexylamino)-3-nitrobenzoate?
The molecular formula of Ethyl 4-(cyclohexylamino)-3-nitrobenzoate is C15H20N2O4.
What is the molecular weight of Ethyl 4-(cyclohexylamino)-3-nitrobenzoate?
The molecular weight of Ethyl 4-(cyclohexylamino)-3-nitrobenzoate is 292.14 g/mol.
Where can I buy Ethyl 4-(cyclohexylamino)-3-nitrobenzoate?
You can request a quote for Ethyl 4-(cyclohexylamino)-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-(cyclohexylamino)-3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(cyclohexylamino)-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.