Benzoic acid, 3,4,5-trimethoxy-, (2-(4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-1-piperazinyl)ethyl) ester
TL;DR: Benzoic acid, 3,4,5-trimethoxy-, (2-(4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-1-piperazinyl)ethyl) ester (CAS 67031-63-4) is a chemical compound with molecular formula C31H48N2O5 and molecular weight 528.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazin-1-yl]ethyl 3,4,5-trimethoxybenzoate
Also Known As: Benzoic acid, 3,4,5-trimethoxy-, (2-(4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-1-piperazinyl)ethyl) ester, 3,4,5-Trimethoxybenzoic acid, (2-(4-farnesyl-1-piperazinyl)ethyl)ester, 2-[4-(3,7,11-Trimethyl-2,6,10-dodecatrienyl)-1-piperazinyl]ethyl=3,4,5-trimethoxybenzoate, 2-[4-(3,7,11-trimethyldodeca-2,6,10-trien-1-yl)piperazin-1-yl]ethyl 3,4,5-trimethoxybenzoate, 2-[4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazin-1-yl]ethyl 3,4,5-trimethoxybenzoate
| Molecular Formula | C31H48N2O5 |
|---|---|
| Molecular Weight | 528.36 g/mol |
| LogP | 5.906 |
| Topological Polar Surface Area | 60.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 15 |
| Exact Mass | 528.3563 |
| Heavy Atoms | 38 |
| Complexity | 945.47705 |
Chemical Identifiers
| CAS Number | 67031-63-4 |
|---|---|
| SMILES | CC(=CCC/C(=C/CC/C(=C/CN1CCN(CC1)CCOC(=O)C2=CC(=C(C(=C2)OC)OC)OC)/C)/C)C |
Product Overview
Benzoic acid, 3,4,5-trimethoxy-, (2-(4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-1-piperazinyl)ethyl) ester (CAS 67031-63-4), with molecular formula C31H48N2O5 and molecular weight 528.36 g/mol. IUPAC: 2-[4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazin-1-yl]ethyl 3,4,5-trimethoxybenzoate.
Chemical Property Profile of Benzoic acid, 3,4,5-trimethoxy-, (2-(4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-1-piperazinyl)ethyl) ester
Property Insights of Benzoic acid, 3,4,5-trimethoxy-, (2-(4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-1-piperazinyl)ethyl) ester
The XLogP value of 5.906 indicates that Benzoic acid, 3,4,5-trimethoxy-, (2-(4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-1-piperazinyl)ethyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3,4,5-trimethoxy-, (2-(4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-1-piperazinyl)ethyl) ester. Following Lipinski's Rule of Five, Benzoic acid, 3,4,5-trimethoxy-, (2-(4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-1-piperazinyl)ethyl) 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-, (2-(4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-1-piperazinyl)ethyl) ester?
The CAS number of Benzoic acid, 3,4,5-trimethoxy-, (2-(4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-1-piperazinyl)ethyl) ester is 67031-63-4.
What is the molecular formula of Benzoic acid, 3,4,5-trimethoxy-, (2-(4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-1-piperazinyl)ethyl) ester?
The molecular formula of Benzoic acid, 3,4,5-trimethoxy-, (2-(4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-1-piperazinyl)ethyl) ester is C31H48N2O5.
What is the molecular weight of Benzoic acid, 3,4,5-trimethoxy-, (2-(4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-1-piperazinyl)ethyl) ester?
The molecular weight of Benzoic acid, 3,4,5-trimethoxy-, (2-(4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-1-piperazinyl)ethyl) ester is 528.36 g/mol.
Where can I buy Benzoic acid, 3,4,5-trimethoxy-, (2-(4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-1-piperazinyl)ethyl) ester?
You can request a quote for Benzoic acid, 3,4,5-trimethoxy-, (2-(4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-1-piperazinyl)ethyl) 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-, (2-(4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-1-piperazinyl)ethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3,4,5-trimethoxy-, (2-(4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-1-piperazinyl)ethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.