2-Isopropyl-5-methylcyclohexyl 2-(4-nitrophenoxy)acetate
TL;DR: 2-Isopropyl-5-methylcyclohexyl 2-(4-nitrophenoxy)acetate (CAS 301532-56-9) is a chemical compound with molecular formula C18H25NO5 and molecular weight 335.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-methyl-2-propan-2-ylcyclohexyl) 2-(4-nitrophenoxy)acetate
Also Known As: p-menthan-3-yl (p-nitrophenoxy)acetate, F0088-0009, 5-methyl-2-(propan-2-yl)cyclohexyl 2-(4-nitrophenoxy)acetate, AE-848/11243441, 2-isopropyl-5-methylcyclohexyl 2-(4-nitrophenoxy)acetate
| Molecular Formula | C18H25NO5 |
|---|---|
| Molecular Weight | 335.17 g/mol |
| LogP | 3.9776 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 335.17328 |
| Heavy Atoms | 24 |
| Complexity | 569.2768 |
Chemical Identifiers
| CAS Number | 301532-56-9 |
|---|---|
| SMILES | CC1CCC(C(C1)OC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])C(C)C |
Product Overview
2-Isopropyl-5-methylcyclohexyl 2-(4-nitrophenoxy)acetate (CAS 301532-56-9), with molecular formula C18H25NO5 and molecular weight 335.17 g/mol. IUPAC: (5-methyl-2-propan-2-ylcyclohexyl) 2-(4-nitrophenoxy)acetate.
Chemical Property Profile of 2-Isopropyl-5-methylcyclohexyl 2-(4-nitrophenoxy)acetate
Property Insights of 2-Isopropyl-5-methylcyclohexyl 2-(4-nitrophenoxy)acetate
The XLogP value of 3.9776 indicates that 2-Isopropyl-5-methylcyclohexyl 2-(4-nitrophenoxy)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Isopropyl-5-methylcyclohexyl 2-(4-nitrophenoxy)acetate. Following Lipinski's Rule of Five, 2-Isopropyl-5-methylcyclohexyl 2-(4-nitrophenoxy)acetate has 0 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 2-Isopropyl-5-methylcyclohexyl 2-(4-nitrophenoxy)acetate?
The CAS number of 2-Isopropyl-5-methylcyclohexyl 2-(4-nitrophenoxy)acetate is 301532-56-9.
What is the molecular formula of 2-Isopropyl-5-methylcyclohexyl 2-(4-nitrophenoxy)acetate?
The molecular formula of 2-Isopropyl-5-methylcyclohexyl 2-(4-nitrophenoxy)acetate is C18H25NO5.
What is the molecular weight of 2-Isopropyl-5-methylcyclohexyl 2-(4-nitrophenoxy)acetate?
The molecular weight of 2-Isopropyl-5-methylcyclohexyl 2-(4-nitrophenoxy)acetate is 335.17 g/mol.
Where can I buy 2-Isopropyl-5-methylcyclohexyl 2-(4-nitrophenoxy)acetate?
You can request a quote for 2-Isopropyl-5-methylcyclohexyl 2-(4-nitrophenoxy)acetate 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 2-(4-nitrophenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Isopropyl-5-methylcyclohexyl 2-(4-nitrophenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.