Octanoic acid, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester
TL;DR: Octanoic acid, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester (CAS 129229-91-0) is a chemical compound with molecular formula C33H46N2O10 and molecular weight 630.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1,4-bis(3,4,5-trimethoxybenzoyl)piperazin-2-yl]methyl octanoate
Also Known As: 2-phenoxymethyl-5-nitrobenzoic acid, (1,4-Bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl octanoate, N,N'-Di-(3',4',5'-trimethoxybenzoyl)-2-n-octanoyloxymethylpiperazine, Octanoic acid, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester, [1,4-bis(3,4,5-trimethoxybenzoyl)piperazin-2-yl]methyl octanoate
| Molecular Formula | C33H46N2O10 |
|---|---|
| Molecular Weight | 630.32 g/mol |
| LogP | 4.6087 |
| Topological Polar Surface Area | 122.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 16 |
| Exact Mass | 630.31525 |
| Heavy Atoms | 45 |
| Complexity | 1264.378 |
Chemical Identifiers
| CAS Number | 129229-91-0 |
|---|---|
| SMILES | CCCCCCCC(=O)OCC1CN(CCN1C(=O)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)C3=CC(=C(C(=C3)OC)OC)OC |
Product Overview
Octanoic acid, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester (CAS 129229-91-0), with molecular formula C33H46N2O10 and molecular weight 630.32 g/mol. IUPAC: [1,4-bis(3,4,5-trimethoxybenzoyl)piperazin-2-yl]methyl octanoate.
Chemical Property Profile of Octanoic acid, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester
Property Insights of Octanoic acid, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester
The XLogP value of 4.6087 indicates that Octanoic acid, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Octanoic acid, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester. Following Lipinski's Rule of Five, Octanoic acid, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Octanoic acid, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester?
The CAS number of Octanoic acid, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester is 129229-91-0.
What is the molecular formula of Octanoic acid, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester?
The molecular formula of Octanoic acid, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester is C33H46N2O10.
What is the molecular weight of Octanoic acid, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester?
The molecular weight of Octanoic acid, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester is 630.32 g/mol.
Where can I buy Octanoic acid, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester?
You can request a quote for Octanoic acid, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octanoic acid, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Octanoic acid, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.