Benzoic acid, 2-(acetyloxy)-, 1,4-piperazinediyldi-2,1-ethanediyl ester
TL;DR: Benzoic acid, 2-(acetyloxy)-, 1,4-piperazinediyldi-2,1-ethanediyl ester (CAS 79874-85-4) is a chemical compound with molecular formula C26H30N2O8 and molecular weight 498.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[2-(2-acetyloxybenzoyl)oxyethyl]piperazin-1-yl]ethyl 2-acetyloxybenzoate
Also Known As: 1,4-Bis(2- piperazine, 1,4-Bis(2-(acetylsalicyloyloxy)ethyl)piperazine, 1,4-Piperazinediyldi-2,1-ethanediyl 2-(acetyloxy)benzoate, Benzoic acid, 2-(acetyloxy)-, 1,4-piperazinediyldi-2,1-ethanediyl ester, 2-[4-[2-(2-acetyloxybenzoyl)oxyethyl]piperazin-1-yl]ethyl 2-acetyloxybenzoate
| Molecular Formula | C26H30N2O8 |
|---|---|
| Molecular Weight | 498.20 g/mol |
| LogP | 2.1686 |
| Topological Polar Surface Area | 111.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 498.20023 |
| Heavy Atoms | 36 |
| Complexity | 993.6188 |
Chemical Identifiers
| CAS Number | 79874-85-4 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC=C1C(=O)OCCN2CCN(CC2)CCOC(=O)C3=CC=CC=C3OC(=O)C |
Product Overview
Benzoic acid, 2-(acetyloxy)-, 1,4-piperazinediyldi-2,1-ethanediyl ester (CAS 79874-85-4), with molecular formula C26H30N2O8 and molecular weight 498.20 g/mol. IUPAC: 2-[4-[2-(2-acetyloxybenzoyl)oxyethyl]piperazin-1-yl]ethyl 2-acetyloxybenzoate.
Chemical Property Profile of Benzoic acid, 2-(acetyloxy)-, 1,4-piperazinediyldi-2,1-ethanediyl ester
Property Insights of Benzoic acid, 2-(acetyloxy)-, 1,4-piperazinediyldi-2,1-ethanediyl ester
The XLogP value of 2.1686 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2-(acetyloxy)-, 1,4-piperazinediyldi-2,1-ethanediyl ester. The TPSA of 111.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-(acetyloxy)-, 1,4-piperazinediyldi-2,1-ethanediyl ester. Following Lipinski's Rule of Five, Benzoic acid, 2-(acetyloxy)-, 1,4-piperazinediyldi-2,1-ethanediyl ester has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 2-(acetyloxy)-, 1,4-piperazinediyldi-2,1-ethanediyl ester?
The CAS number of Benzoic acid, 2-(acetyloxy)-, 1,4-piperazinediyldi-2,1-ethanediyl ester is 79874-85-4.
What is the molecular formula of Benzoic acid, 2-(acetyloxy)-, 1,4-piperazinediyldi-2,1-ethanediyl ester?
The molecular formula of Benzoic acid, 2-(acetyloxy)-, 1,4-piperazinediyldi-2,1-ethanediyl ester is C26H30N2O8.
What is the molecular weight of Benzoic acid, 2-(acetyloxy)-, 1,4-piperazinediyldi-2,1-ethanediyl ester?
The molecular weight of Benzoic acid, 2-(acetyloxy)-, 1,4-piperazinediyldi-2,1-ethanediyl ester is 498.20 g/mol.
Where can I buy Benzoic acid, 2-(acetyloxy)-, 1,4-piperazinediyldi-2,1-ethanediyl ester?
You can request a quote for Benzoic acid, 2-(acetyloxy)-, 1,4-piperazinediyldi-2,1-ethanediyl 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-(acetyloxy)-, 1,4-piperazinediyldi-2,1-ethanediyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-(acetyloxy)-, 1,4-piperazinediyldi-2,1-ethanediyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.