2-Isopropyl-5-methylcyclohexyl 4-nitrobenzoate
TL;DR: 2-Isopropyl-5-methylcyclohexyl 4-nitrobenzoate (CAS 5423-55-2) is a chemical compound with molecular formula C17H23NO4 and molecular weight 305.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-methyl-2-propan-2-ylcyclohexyl) 4-nitrobenzoate
Also Known As: l-menthyl 4-nitrobenzoate, 2-isopropyl-5-methylcyclohexyl 4-nitrobenzoate, (5-methyl-2-propan-2-ylcyclohexyl) 4-nitrobenzoate, Cyclohexanol,5-methyl-2-(1-methylethyl)-, 1-(4-nitrobenzoate), BIM-0013459.P001
| Molecular Formula | C17H23NO4 |
|---|---|
| Molecular Weight | 305.16 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 305.16272 |
| Heavy Atoms | 22 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 5423-55-2 |
|---|---|
| SMILES | CC1CCC(C(C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(C)C |
| InChIKey | FAVDDVFCEHOGER-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Isopropyl-5-methylcyclohexyl 4-nitrobenzoate (CAS 5423-55-2), with molecular formula C17H23NO4 and molecular weight 305.16 g/mol. IUPAC: (5-methyl-2-propan-2-ylcyclohexyl) 4-nitrobenzoate.
Chemical Property Profile of 2-Isopropyl-5-methylcyclohexyl 4-nitrobenzoate
Property Insights of 2-Isopropyl-5-methylcyclohexyl 4-nitrobenzoate
The XLogP value of 5.1 indicates that 2-Isopropyl-5-methylcyclohexyl 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-Isopropyl-5-methylcyclohexyl 4-nitrobenzoate. Following Lipinski's Rule of Five, 2-Isopropyl-5-methylcyclohexyl 4-nitrobenzoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Isopropyl-5-methylcyclohexyl 4-nitrobenzoate?
The CAS number of 2-Isopropyl-5-methylcyclohexyl 4-nitrobenzoate is 5423-55-2.
What is the molecular formula of 2-Isopropyl-5-methylcyclohexyl 4-nitrobenzoate?
The molecular formula of 2-Isopropyl-5-methylcyclohexyl 4-nitrobenzoate is C17H23NO4.
What is the molecular weight of 2-Isopropyl-5-methylcyclohexyl 4-nitrobenzoate?
The molecular weight of 2-Isopropyl-5-methylcyclohexyl 4-nitrobenzoate is 305.16 g/mol.
Where can I buy 2-Isopropyl-5-methylcyclohexyl 4-nitrobenzoate?
You can request a quote for 2-Isopropyl-5-methylcyclohexyl 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-Isopropyl-5-methylcyclohexyl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Isopropyl-5-methylcyclohexyl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.