Benzenepropanoic acid, 1-methyl-2-((1-oxoundecyl)oxy)propyl ester
TL;DR: Benzenepropanoic acid, 1-methyl-2-((1-oxoundecyl)oxy)propyl ester (CAS 84006-71-3) is a chemical compound with molecular formula C24H38O4 and molecular weight 390.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-phenylpropanoyloxy)butan-2-yl undecanoate
Also Known As: 1-Methyl-2-((1-oxoundecyl)oxy)propyl benzenepropanoate, Benzenepropanoic acid, 1-methyl-2-((1-oxoundecyl)oxy)propyl ester, 3-(3-phenylpropanoyloxy)butan-2-yl undecanoate, 3-[(3-Phenylpropanoyl)oxy]butan-2-yl undecanoate, RefChem:325116
| Molecular Formula | C24H38O4 |
|---|---|
| Molecular Weight | 390.28 g/mol |
| LogP | 6.0134 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Exact Mass | 390.277 |
| Heavy Atoms | 28 |
| Complexity | 540.79596 |
Chemical Identifiers
| CAS Number | 84006-71-3 |
|---|---|
| SMILES | CCCCCCCCCCC(=O)OC(C)C(C)OC(=O)CCC1=CC=CC=C1 |
Product Overview
Benzenepropanoic acid, 1-methyl-2-((1-oxoundecyl)oxy)propyl ester (CAS 84006-71-3), with molecular formula C24H38O4 and molecular weight 390.28 g/mol. IUPAC: 3-(3-phenylpropanoyloxy)butan-2-yl undecanoate.
Chemical Property Profile of Benzenepropanoic acid, 1-methyl-2-((1-oxoundecyl)oxy)propyl ester
Property Insights of Benzenepropanoic acid, 1-methyl-2-((1-oxoundecyl)oxy)propyl ester
The XLogP value of 6.0134 indicates that Benzenepropanoic acid, 1-methyl-2-((1-oxoundecyl)oxy)propyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Benzenepropanoic acid, 1-methyl-2-((1-oxoundecyl)oxy)propyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenepropanoic acid, 1-methyl-2-((1-oxoundecyl)oxy)propyl ester 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 Benzenepropanoic acid, 1-methyl-2-((1-oxoundecyl)oxy)propyl ester?
The CAS number of Benzenepropanoic acid, 1-methyl-2-((1-oxoundecyl)oxy)propyl ester is 84006-71-3.
What is the molecular formula of Benzenepropanoic acid, 1-methyl-2-((1-oxoundecyl)oxy)propyl ester?
The molecular formula of Benzenepropanoic acid, 1-methyl-2-((1-oxoundecyl)oxy)propyl ester is C24H38O4.
What is the molecular weight of Benzenepropanoic acid, 1-methyl-2-((1-oxoundecyl)oxy)propyl ester?
The molecular weight of Benzenepropanoic acid, 1-methyl-2-((1-oxoundecyl)oxy)propyl ester is 390.28 g/mol.
Where can I buy Benzenepropanoic acid, 1-methyl-2-((1-oxoundecyl)oxy)propyl ester?
You can request a quote for Benzenepropanoic acid, 1-methyl-2-((1-oxoundecyl)oxy)propyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenepropanoic acid, 1-methyl-2-((1-oxoundecyl)oxy)propyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenepropanoic acid, 1-methyl-2-((1-oxoundecyl)oxy)propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.