4-Prenyloxybenzophenon
TL;DR: 4-Prenyloxybenzophenon (CAS 42404-50-2) is a chemical compound with molecular formula C22H34N2O8 and molecular weight 454.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[1,3,3-trimethyl-5-(2-prop-2-enoyloxyethoxycarbonylamino)cyclohexyl]methylcarbamoyloxy]ethyl prop-2-enoate
Also Known As: 4-Prenyloxybenzophenon, J1.531.403F, 2-Propenoic acid, 2-(((((1,3,3-trimethyl-5-(((2-((1-oxo-2-propenyl)oxy)ethoxy)carbonyl)amino)cyclohexyl)methyl)amino)carbonyl)oxy)ethyl ester, 2-Propenoic acid, 2-(((((1,3,3-trimethyl-5-(((2-((1-oxo-2-propen-1-yl)oxy)ethoxy)carbonyl)amino)cyclohexyl)methyl)amino)carbonyl)oxy)ethyl ester, 2-Propenoic acid, 2-[[[[[1,3,3-trimethyl-5-[[[2-[(1-oxo-2-propen-1-yl)oxy]ethoxy]carbonyl]amino]cyclohexyl]methyl]amino]carbonyl]oxy]ethyl ester
| Molecular Formula | C22H34N2O8 |
|---|---|
| Molecular Weight | 454.23 g/mol |
| LogP | 2.4822 |
| Topological Polar Surface Area | 129.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 454.2315 |
| Heavy Atoms | 32 |
| Complexity | 706.0444 |
Chemical Identifiers
| CAS Number | 42404-50-2 |
|---|---|
| SMILES | CC1(CC(CC(C1)(C)CNC(=O)OCCOC(=O)C=C)NC(=O)OCCOC(=O)C=C)C |
Product Overview
4-Prenyloxybenzophenon (CAS 42404-50-2), with molecular formula C22H34N2O8 and molecular weight 454.23 g/mol. IUPAC: 2-[[1,3,3-trimethyl-5-(2-prop-2-enoyloxyethoxycarbonylamino)cyclohexyl]methylcarbamoyloxy]ethyl prop-2-enoate.
Chemical Property Profile of 4-Prenyloxybenzophenon
Property Insights of 4-Prenyloxybenzophenon
The XLogP value of 2.4822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Prenyloxybenzophenon. The TPSA of 129.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Prenyloxybenzophenon. Following Lipinski's Rule of Five, 4-Prenyloxybenzophenon has 2 hydrogen bond donor(s) and 8 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 4-Prenyloxybenzophenon?
The CAS number of 4-Prenyloxybenzophenon is 42404-50-2.
What is the molecular formula of 4-Prenyloxybenzophenon?
The molecular formula of 4-Prenyloxybenzophenon is C22H34N2O8.
What is the molecular weight of 4-Prenyloxybenzophenon?
The molecular weight of 4-Prenyloxybenzophenon is 454.23 g/mol.
Where can I buy 4-Prenyloxybenzophenon?
You can request a quote for 4-Prenyloxybenzophenon directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Prenyloxybenzophenon?
Yes, KEHONG BIO provides custom synthesis services for 4-Prenyloxybenzophenon and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.