Benzoic acid, (2-(4-farnesyl-1-piperazinyl)ethyl) ester
TL;DR: Benzoic acid, (2-(4-farnesyl-1-piperazinyl)ethyl) ester (CAS 67031-64-5) is a chemical compound with molecular formula C28H42N2O2 and molecular weight 438.32 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 benzoate
Also Known As: Benzoic acid, (2-(4-farnesyl-1-piperazinyl)ethyl) ester, Benzoic acid, (2-(4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-1-piperazinyl)ethyl) ester, 1-Piperazineethanol, 4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-, benzoate (ester), 2-[4-(3,7,11-Trimethyl-2,6,10-dodecatrienyl)-1-piperazinyl]ethyl=benzoate, 2-[4-(3,7,11-trimethyldodeca-2,6,10-trien-1-yl)piperazin-1-yl]ethyl benzoate
| Molecular Formula | C28H42N2O2 |
|---|---|
| Molecular Weight | 438.32 g/mol |
| LogP | 5.8802 |
| Topological Polar Surface Area | 32.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 438.32462 |
| Heavy Atoms | 32 |
| Complexity | 767.88196 |
Chemical Identifiers
| CAS Number | 67031-64-5 |
|---|---|
| SMILES | CC(=CCC/C(=C/CC/C(=C/CN1CCN(CC1)CCOC(=O)C2=CC=CC=C2)/C)/C)C |
Product Overview
Benzoic acid, (2-(4-farnesyl-1-piperazinyl)ethyl) ester (CAS 67031-64-5), with molecular formula C28H42N2O2 and molecular weight 438.32 g/mol. IUPAC: 2-[4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazin-1-yl]ethyl benzoate.
Chemical Property Profile of Benzoic acid, (2-(4-farnesyl-1-piperazinyl)ethyl) ester
Property Insights of Benzoic acid, (2-(4-farnesyl-1-piperazinyl)ethyl) ester
The XLogP value of 5.8802 indicates that Benzoic acid, (2-(4-farnesyl-1-piperazinyl)ethyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.78 Ų, Benzoic acid, (2-(4-farnesyl-1-piperazinyl)ethyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, (2-(4-farnesyl-1-piperazinyl)ethyl) 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 Benzoic acid, (2-(4-farnesyl-1-piperazinyl)ethyl) ester?
The CAS number of Benzoic acid, (2-(4-farnesyl-1-piperazinyl)ethyl) ester is 67031-64-5.
What is the molecular formula of Benzoic acid, (2-(4-farnesyl-1-piperazinyl)ethyl) ester?
The molecular formula of Benzoic acid, (2-(4-farnesyl-1-piperazinyl)ethyl) ester is C28H42N2O2.
What is the molecular weight of Benzoic acid, (2-(4-farnesyl-1-piperazinyl)ethyl) ester?
The molecular weight of Benzoic acid, (2-(4-farnesyl-1-piperazinyl)ethyl) ester is 438.32 g/mol.
Where can I buy Benzoic acid, (2-(4-farnesyl-1-piperazinyl)ethyl) ester?
You can request a quote for Benzoic acid, (2-(4-farnesyl-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, (2-(4-farnesyl-1-piperazinyl)ethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, (2-(4-farnesyl-1-piperazinyl)ethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.