2-(3-Acetyl-2,2,4-trimethyl-1,3-oxazolidin-5-yl)-4-methylhex-5-en-3-yl 4-nitrobenzoate
TL;DR: 2-(3-Acetyl-2,2,4-trimethyl-1,3-oxazolidin-5-yl)-4-methylhex-5-en-3-yl 4-nitrobenzoate (CAS 7226-71-3) is a chemical compound with molecular formula C22H30N2O6 and molecular weight 418.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3-acetyl-2,2,4-trimethyl-1,3-oxazolidin-5-yl)-4-methylhex-5-en-3-yl] 4-nitrobenzoate
Also Known As: 2-(3-Acetyl-2,2,4-trimethyl-1,3-oxazolidin-5-yl)-4-methylhex-5-en-3-yl 4-nitrobenzoate, [2-(3-acetyl-2,2,4-trimethyl-1,3-oxazolidin-5-yl)-4-methylhex-5-en-3-yl] 4-nitrobenzoate, [2-(3-acetyl-2,2,4-trimethyl-1,3-oxazolidin-5-yl)-4-methyl-hex-5-en-3-yl] 4-nitrobenzoate
| Molecular Formula | C22H30N2O6 |
|---|---|
| Molecular Weight | 418.21 g/mol |
| LogP | 3.9503 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 418.2104 |
| Heavy Atoms | 30 |
| Complexity | 819.4216 |
Chemical Identifiers
| CAS Number | 7226-71-3 |
|---|---|
| SMILES | CC1C(OC(N1C(=O)C)(C)C)C(C)C(C(C)C=C)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
2-(3-Acetyl-2,2,4-trimethyl-1,3-oxazolidin-5-yl)-4-methylhex-5-en-3-yl 4-nitrobenzoate (CAS 7226-71-3), with molecular formula C22H30N2O6 and molecular weight 418.21 g/mol. IUPAC: [2-(3-acetyl-2,2,4-trimethyl-1,3-oxazolidin-5-yl)-4-methylhex-5-en-3-yl] 4-nitrobenzoate.
Chemical Property Profile of 2-(3-Acetyl-2,2,4-trimethyl-1,3-oxazolidin-5-yl)-4-methylhex-5-en-3-yl 4-nitrobenzoate
Property Insights of 2-(3-Acetyl-2,2,4-trimethyl-1,3-oxazolidin-5-yl)-4-methylhex-5-en-3-yl 4-nitrobenzoate
The XLogP value of 3.9503 indicates that 2-(3-Acetyl-2,2,4-trimethyl-1,3-oxazolidin-5-yl)-4-methylhex-5-en-3-yl 4-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Acetyl-2,2,4-trimethyl-1,3-oxazolidin-5-yl)-4-methylhex-5-en-3-yl 4-nitrobenzoate. Following Lipinski's Rule of Five, 2-(3-Acetyl-2,2,4-trimethyl-1,3-oxazolidin-5-yl)-4-methylhex-5-en-3-yl 4-nitrobenzoate has 0 hydrogen bond donor(s) and 6 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-(3-Acetyl-2,2,4-trimethyl-1,3-oxazolidin-5-yl)-4-methylhex-5-en-3-yl 4-nitrobenzoate?
The CAS number of 2-(3-Acetyl-2,2,4-trimethyl-1,3-oxazolidin-5-yl)-4-methylhex-5-en-3-yl 4-nitrobenzoate is 7226-71-3.
What is the molecular formula of 2-(3-Acetyl-2,2,4-trimethyl-1,3-oxazolidin-5-yl)-4-methylhex-5-en-3-yl 4-nitrobenzoate?
The molecular formula of 2-(3-Acetyl-2,2,4-trimethyl-1,3-oxazolidin-5-yl)-4-methylhex-5-en-3-yl 4-nitrobenzoate is C22H30N2O6.
What is the molecular weight of 2-(3-Acetyl-2,2,4-trimethyl-1,3-oxazolidin-5-yl)-4-methylhex-5-en-3-yl 4-nitrobenzoate?
The molecular weight of 2-(3-Acetyl-2,2,4-trimethyl-1,3-oxazolidin-5-yl)-4-methylhex-5-en-3-yl 4-nitrobenzoate is 418.21 g/mol.
Where can I buy 2-(3-Acetyl-2,2,4-trimethyl-1,3-oxazolidin-5-yl)-4-methylhex-5-en-3-yl 4-nitrobenzoate?
You can request a quote for 2-(3-Acetyl-2,2,4-trimethyl-1,3-oxazolidin-5-yl)-4-methylhex-5-en-3-yl 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-(3-Acetyl-2,2,4-trimethyl-1,3-oxazolidin-5-yl)-4-methylhex-5-en-3-yl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Acetyl-2,2,4-trimethyl-1,3-oxazolidin-5-yl)-4-methylhex-5-en-3-yl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.