Cyclohexyl 4-nitrobenzoate
TL;DR: Cyclohexyl 4-nitrobenzoate (CAS 7511-32-2) is a chemical compound with molecular formula C13H15NO4 and molecular weight 249.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclohexyl 4-nitrobenzoate
Also Known As: Cyclohexyl 4-nitrobenzoate, Cyclohexyl-p-nitrobenzoat, Cyclohexanol, p-nitrobenzoate, Cyclohexyl 4-nitrobenzoate #, 4-Nitrobenzoic acid cyclohexyl ester
| Molecular Formula | C13H15NO4 |
|---|---|
| Molecular Weight | 249.10 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.10011 |
| Heavy Atoms | 18 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 7511-32-2 |
|---|---|
| SMILES | C1CCC(CC1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | SXERGDOODBLTMY-UHFFFAOYSA-N |
Product Overview
Cyclohexyl 4-nitrobenzoate (CAS 7511-32-2), with molecular formula C13H15NO4 and molecular weight 249.10 g/mol. IUPAC: cyclohexyl 4-nitrobenzoate.
Chemical Property Profile of Cyclohexyl 4-nitrobenzoate
Property Insights of Cyclohexyl 4-nitrobenzoate
The XLogP value of 3.4 indicates that Cyclohexyl 4-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyclohexyl 4-nitrobenzoate. Following Lipinski's Rule of Five, Cyclohexyl 4-nitrobenzoate has 0 hydrogen bond donor(s) and 4 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 Cyclohexyl 4-nitrobenzoate?
The CAS number of Cyclohexyl 4-nitrobenzoate is 7511-32-2.
What is the molecular formula of Cyclohexyl 4-nitrobenzoate?
The molecular formula of Cyclohexyl 4-nitrobenzoate is C13H15NO4.
What is the molecular weight of Cyclohexyl 4-nitrobenzoate?
The molecular weight of Cyclohexyl 4-nitrobenzoate is 249.10 g/mol.
Where can I buy Cyclohexyl 4-nitrobenzoate?
You can request a quote for Cyclohexyl 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexyl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexyl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.