Benzoic acid, 3,4,5-trimethoxy-, 1-methyl-2-((1-oxoundecyl)oxy)propyl ester
TL;DR: Benzoic acid, 3,4,5-trimethoxy-, 1-methyl-2-((1-oxoundecyl)oxy)propyl ester (CAS 84006-69-9) is a chemical compound with molecular formula C25H40O7 and molecular weight 452.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-undecanoyloxybutan-2-yl 3,4,5-trimethoxybenzoate
Also Known As: 1-Methyl-2-((1-oxoundecyl)oxy)propyl 3,4,5-trimethoxybenzoate, 3-undecanoyloxybutan-2-yl 3,4,5-trimethoxybenzoate, Benzoic acid, 3,4,5-trimethoxy-, 1-methyl-2-((1-oxoundecyl)oxy)propyl ester, 3-(Undecanoyloxy)butan-2-yl 3,4,5-trimethoxybenzoate, RefChem:1079004
| Molecular Formula | C25H40O7 |
|---|---|
| Molecular Weight | 452.28 g/mol |
| LogP | 5.7202 |
| Topological Polar Surface Area | 80.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 16 |
| Exact Mass | 452.2774 |
| Heavy Atoms | 32 |
| Complexity | 676.526 |
Chemical Identifiers
| CAS Number | 84006-69-9 |
|---|---|
| SMILES | CCCCCCCCCCC(=O)OC(C)C(C)OC(=O)C1=CC(=C(C(=C1)OC)OC)OC |
Product Overview
Benzoic acid, 3,4,5-trimethoxy-, 1-methyl-2-((1-oxoundecyl)oxy)propyl ester (CAS 84006-69-9), with molecular formula C25H40O7 and molecular weight 452.28 g/mol. IUPAC: 3-undecanoyloxybutan-2-yl 3,4,5-trimethoxybenzoate.
Chemical Property Profile of Benzoic acid, 3,4,5-trimethoxy-, 1-methyl-2-((1-oxoundecyl)oxy)propyl ester
Property Insights of Benzoic acid, 3,4,5-trimethoxy-, 1-methyl-2-((1-oxoundecyl)oxy)propyl ester
The XLogP value of 5.7202 indicates that Benzoic acid, 3,4,5-trimethoxy-, 1-methyl-2-((1-oxoundecyl)oxy)propyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.29 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3,4,5-trimethoxy-, 1-methyl-2-((1-oxoundecyl)oxy)propyl ester. Following Lipinski's Rule of Five, Benzoic acid, 3,4,5-trimethoxy-, 1-methyl-2-((1-oxoundecyl)oxy)propyl ester has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 3,4,5-trimethoxy-, 1-methyl-2-((1-oxoundecyl)oxy)propyl ester?
The CAS number of Benzoic acid, 3,4,5-trimethoxy-, 1-methyl-2-((1-oxoundecyl)oxy)propyl ester is 84006-69-9.
What is the molecular formula of Benzoic acid, 3,4,5-trimethoxy-, 1-methyl-2-((1-oxoundecyl)oxy)propyl ester?
The molecular formula of Benzoic acid, 3,4,5-trimethoxy-, 1-methyl-2-((1-oxoundecyl)oxy)propyl ester is C25H40O7.
What is the molecular weight of Benzoic acid, 3,4,5-trimethoxy-, 1-methyl-2-((1-oxoundecyl)oxy)propyl ester?
The molecular weight of Benzoic acid, 3,4,5-trimethoxy-, 1-methyl-2-((1-oxoundecyl)oxy)propyl ester is 452.28 g/mol.
Where can I buy Benzoic acid, 3,4,5-trimethoxy-, 1-methyl-2-((1-oxoundecyl)oxy)propyl ester?
You can request a quote for Benzoic acid, 3,4,5-trimethoxy-, 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 Benzoic acid, 3,4,5-trimethoxy-, 1-methyl-2-((1-oxoundecyl)oxy)propyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3,4,5-trimethoxy-, 1-methyl-2-((1-oxoundecyl)oxy)propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.