5-Methyl-2-(propan-2-yl)cyclohexyl 2-(4-nitrophenyl)-2-oxoethyl butanedioate
TL;DR: 5-Methyl-2-(propan-2-yl)cyclohexyl 2-(4-nitrophenyl)-2-oxoethyl butanedioate (CAS 355369-59-4) is a chemical compound with molecular formula C22H29NO7 and molecular weight 419.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-O-(5-methyl-2-propan-2-ylcyclohexyl) 1-O-[2-(4-nitrophenyl)-2-oxoethyl] butanedioate
Also Known As: 5-methyl-2-(propan-2-yl)cyclohexyl 2-(4-nitrophenyl)-2-oxoethyl butanedioate, 4-O-(5-methyl-2-propan-2-ylcyclohexyl) 1-O-[2-(4-nitrophenyl)-2-oxoethyl] butanedioate, 2-isopropyl-5-methylcyclohexyl (2-(4-nitrophenyl)-2-oxoethyl) succinate, 2-isopropyl-5-methylcyclohexyl 2-(4-nitrophenyl)-2-oxoethyl succinate, 1-(2-{4-nitrophenyl}-2-oxoethyl) 4-(2-isopropyl-5-methylcyclohexyl) succinate
| Molecular Formula | C22H29NO7 |
|---|---|
| Molecular Weight | 419.19 g/mol |
| LogP | 4.1049 |
| Topological Polar Surface Area | 112.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 419.1944 |
| Heavy Atoms | 30 |
| Complexity | 772.1957 |
Chemical Identifiers
| CAS Number | 355369-59-4 |
|---|---|
| SMILES | CC1CCC(C(C1)OC(=O)CCC(=O)OCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(C)C |
Product Overview
5-Methyl-2-(propan-2-yl)cyclohexyl 2-(4-nitrophenyl)-2-oxoethyl butanedioate (CAS 355369-59-4), with molecular formula C22H29NO7 and molecular weight 419.19 g/mol. IUPAC: 4-O-(5-methyl-2-propan-2-ylcyclohexyl) 1-O-[2-(4-nitrophenyl)-2-oxoethyl] butanedioate.
Chemical Property Profile of 5-Methyl-2-(propan-2-yl)cyclohexyl 2-(4-nitrophenyl)-2-oxoethyl butanedioate
Property Insights of 5-Methyl-2-(propan-2-yl)cyclohexyl 2-(4-nitrophenyl)-2-oxoethyl butanedioate
The XLogP value of 4.1049 indicates that 5-Methyl-2-(propan-2-yl)cyclohexyl 2-(4-nitrophenyl)-2-oxoethyl butanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methyl-2-(propan-2-yl)cyclohexyl 2-(4-nitrophenyl)-2-oxoethyl butanedioate. Following Lipinski's Rule of Five, 5-Methyl-2-(propan-2-yl)cyclohexyl 2-(4-nitrophenyl)-2-oxoethyl butanedioate has 0 hydrogen bond donor(s) and 7 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 5-Methyl-2-(propan-2-yl)cyclohexyl 2-(4-nitrophenyl)-2-oxoethyl butanedioate?
The CAS number of 5-Methyl-2-(propan-2-yl)cyclohexyl 2-(4-nitrophenyl)-2-oxoethyl butanedioate is 355369-59-4.
What is the molecular formula of 5-Methyl-2-(propan-2-yl)cyclohexyl 2-(4-nitrophenyl)-2-oxoethyl butanedioate?
The molecular formula of 5-Methyl-2-(propan-2-yl)cyclohexyl 2-(4-nitrophenyl)-2-oxoethyl butanedioate is C22H29NO7.
What is the molecular weight of 5-Methyl-2-(propan-2-yl)cyclohexyl 2-(4-nitrophenyl)-2-oxoethyl butanedioate?
The molecular weight of 5-Methyl-2-(propan-2-yl)cyclohexyl 2-(4-nitrophenyl)-2-oxoethyl butanedioate is 419.19 g/mol.
Where can I buy 5-Methyl-2-(propan-2-yl)cyclohexyl 2-(4-nitrophenyl)-2-oxoethyl butanedioate?
You can request a quote for 5-Methyl-2-(propan-2-yl)cyclohexyl 2-(4-nitrophenyl)-2-oxoethyl butanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-2-(propan-2-yl)cyclohexyl 2-(4-nitrophenyl)-2-oxoethyl butanedioate?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-2-(propan-2-yl)cyclohexyl 2-(4-nitrophenyl)-2-oxoethyl butanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.