(2-Phenylcyclohexyl) 4-nitrobenzoate
TL;DR: (2-Phenylcyclohexyl) 4-nitrobenzoate (CAS 84304-32-5) is a chemical compound with molecular formula C19H19NO4 and molecular weight 325.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-phenylcyclohexyl) 4-nitrobenzoate
Also Known As: (2-phenylcyclohexyl) 4-nitrobenzoate, 2-PHENYLCYCLOHEXYL 4-NITROBENZOATE, [(1S,2R)-2-phenylcyclohexyl] 4-nitrobenzoate
| Molecular Formula | C19H19NO4 |
|---|---|
| Molecular Weight | 325.13 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 325.1314 |
| Heavy Atoms | 24 |
| Complexity | 433.0 |
Chemical Identifiers
| CAS Number | 84304-32-5 |
|---|---|
| SMILES | C1CCC(C(C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | ACCXPLRYQJZTTP-UHFFFAOYSA-N |
Product Overview
(2-Phenylcyclohexyl) 4-nitrobenzoate (CAS 84304-32-5), with molecular formula C19H19NO4 and molecular weight 325.13 g/mol. IUPAC: (2-phenylcyclohexyl) 4-nitrobenzoate.
Chemical Property Profile of (2-Phenylcyclohexyl) 4-nitrobenzoate
Property Insights of (2-Phenylcyclohexyl) 4-nitrobenzoate
The XLogP value of 4.8 indicates that (2-Phenylcyclohexyl) 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 (2-Phenylcyclohexyl) 4-nitrobenzoate. Following Lipinski's Rule of Five, (2-Phenylcyclohexyl) 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 (2-Phenylcyclohexyl) 4-nitrobenzoate?
The CAS number of (2-Phenylcyclohexyl) 4-nitrobenzoate is 84304-32-5.
What is the molecular formula of (2-Phenylcyclohexyl) 4-nitrobenzoate?
The molecular formula of (2-Phenylcyclohexyl) 4-nitrobenzoate is C19H19NO4.
What is the molecular weight of (2-Phenylcyclohexyl) 4-nitrobenzoate?
The molecular weight of (2-Phenylcyclohexyl) 4-nitrobenzoate is 325.13 g/mol.
Where can I buy (2-Phenylcyclohexyl) 4-nitrobenzoate?
You can request a quote for (2-Phenylcyclohexyl) 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Phenylcyclohexyl) 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (2-Phenylcyclohexyl) 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.