3-(3-Phenylprop-2-enoyloxy)butan-2-yl nonanoate
TL;DR: 3-(3-Phenylprop-2-enoyloxy)butan-2-yl nonanoate (CAS 84006-31-5) is a chemical compound with molecular formula C22H32O4 and molecular weight 360.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-phenylprop-2-enoyloxy)butan-2-yl nonanoate
Also Known As: 3-[-3-phenylprop-2-enoyl]oxybutan-2-ylnonanoate, 1-Methyl-2-((1-oxo-3-phenyl-2-propenyl)oxy)propyl nonanoate, Nonanoic acid, 1-methyl-2-((1-oxo-3-phenyl-2-propenyl)oxy)propyl ester, Nonanoic acid,1-methyl-2-[(1-oxo-3-phenyl-2-propen-1-yl)oxy]propyl ester
| Molecular Formula | C22H32O4 |
|---|---|
| Molecular Weight | 360.23 g/mol |
| LogP | 5.3138 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 360.23007 |
| Heavy Atoms | 26 |
| Complexity | 550.5205 |
Chemical Identifiers
| CAS Number | 84006-31-5 |
|---|---|
| SMILES | CCCCCCCCC(=O)OC(C)C(C)OC(=O)C=CC1=CC=CC=C1 |
Product Overview
3-(3-Phenylprop-2-enoyloxy)butan-2-yl nonanoate (CAS 84006-31-5), with molecular formula C22H32O4 and molecular weight 360.23 g/mol. IUPAC: 3-(3-phenylprop-2-enoyloxy)butan-2-yl nonanoate.
Chemical Property Profile of 3-(3-Phenylprop-2-enoyloxy)butan-2-yl nonanoate
Property Insights of 3-(3-Phenylprop-2-enoyloxy)butan-2-yl nonanoate
The XLogP value of 5.3138 indicates that 3-(3-Phenylprop-2-enoyloxy)butan-2-yl nonanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 3-(3-Phenylprop-2-enoyloxy)butan-2-yl nonanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Phenylprop-2-enoyloxy)butan-2-yl nonanoate 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 3-(3-Phenylprop-2-enoyloxy)butan-2-yl nonanoate?
The CAS number of 3-(3-Phenylprop-2-enoyloxy)butan-2-yl nonanoate is 84006-31-5.
What is the molecular formula of 3-(3-Phenylprop-2-enoyloxy)butan-2-yl nonanoate?
The molecular formula of 3-(3-Phenylprop-2-enoyloxy)butan-2-yl nonanoate is C22H32O4.
What is the molecular weight of 3-(3-Phenylprop-2-enoyloxy)butan-2-yl nonanoate?
The molecular weight of 3-(3-Phenylprop-2-enoyloxy)butan-2-yl nonanoate is 360.23 g/mol.
Where can I buy 3-(3-Phenylprop-2-enoyloxy)butan-2-yl nonanoate?
You can request a quote for 3-(3-Phenylprop-2-enoyloxy)butan-2-yl nonanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Phenylprop-2-enoyloxy)butan-2-yl nonanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Phenylprop-2-enoyloxy)butan-2-yl nonanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.