P-Nitrophenyl cyclohexanecarboxylate
TL;DR: P-Nitrophenyl cyclohexanecarboxylate (CAS 13551-17-2) 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.
(4-nitrophenyl) cyclohexanecarboxylate
Also Known As: 4-nitrophenyl cyclohexanoate, P-NITROPHENYL CYCLOHEXANECARBOXYLATE, 4-nitrophenyl cyclohexanecarboxylate, (4-nitrophenyl) cyclohexanecarboxylate, Cyclohexanecarboxylic acid, 4-nitrophenyl ester
| Molecular Formula | C13H15NO4 |
|---|---|
| Molecular Weight | 249.10 g/mol |
| LogP | 3.6 |
| 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 | 13551-17-2 |
|---|---|
| SMILES | C1CCC(CC1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | UCQFTYKBLBJWIO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
P-Nitrophenyl cyclohexanecarboxylate (CAS 13551-17-2), with molecular formula C13H15NO4 and molecular weight 249.10 g/mol. IUPAC: (4-nitrophenyl) cyclohexanecarboxylate.
Chemical Property Profile of P-Nitrophenyl cyclohexanecarboxylate
Property Insights of P-Nitrophenyl cyclohexanecarboxylate
The XLogP value of 3.6 indicates that P-Nitrophenyl cyclohexanecarboxylate 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 P-Nitrophenyl cyclohexanecarboxylate. Following Lipinski's Rule of Five, P-Nitrophenyl cyclohexanecarboxylate 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 P-Nitrophenyl cyclohexanecarboxylate?
The CAS number of P-Nitrophenyl cyclohexanecarboxylate is 13551-17-2.
What is the molecular formula of P-Nitrophenyl cyclohexanecarboxylate?
The molecular formula of P-Nitrophenyl cyclohexanecarboxylate is C13H15NO4.
What is the molecular weight of P-Nitrophenyl cyclohexanecarboxylate?
The molecular weight of P-Nitrophenyl cyclohexanecarboxylate is 249.10 g/mol.
Where can I buy P-Nitrophenyl cyclohexanecarboxylate?
You can request a quote for P-Nitrophenyl cyclohexanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for P-Nitrophenyl cyclohexanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for P-Nitrophenyl cyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.