![3-{2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}octahydroquinoxalin-2(1H)-one structure](/static/products/1033/1033588-83-8.webp)
3-{2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}octahydroquinoxalin-2(1H)-one
TL;DR: 3-{2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}octahydroquinoxalin-2(1H)-one (CAS 1033588-83-8) is a chemical compound with molecular formula C27H34N4O2 and molecular weight 446.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-one
Also Known As: 3-{2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}octahydroquinoxalin-2(1H)-one, 3-(2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl)octahydroquinoxalin-2(1H)-one, 3-[2-(4-BENZHYDRYLPIPERAZINO)-2-OXOETHYL]OCTAHYDRO-2(1H)-QUINOXALINONE, 3-[2-(4-benzhydrylpiperazin-1-yl)-2-oxo-ethyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-one, 3-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-one
| Molecular Formula | C27H34N4O2 |
|---|---|
| Molecular Weight | 446.27 g/mol |
| LogP | 2.7095 |
| Topological Polar Surface Area | 64.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 446.2682 |
| Heavy Atoms | 33 |
| Complexity | 903.6084 |
Chemical Identifiers
| CAS Number | 1033588-83-8 |
|---|---|
| SMILES | C1CCC2C(C1)NC(C(=O)N2)CC(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5 |
Product Overview
3-{2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}octahydroquinoxalin-2(1H)-one (CAS 1033588-83-8), with molecular formula C27H34N4O2 and molecular weight 446.27 g/mol. IUPAC: 3-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-one.
Chemical Property Profile of 3-{2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}octahydroquinoxalin-2(1H)-one
Property Insights of 3-{2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}octahydroquinoxalin-2(1H)-one
The XLogP value of 2.7095 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}octahydroquinoxalin-2(1H)-one. The TPSA of 64.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}octahydroquinoxalin-2(1H)-one. Following Lipinski's Rule of Five, 3-{2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}octahydroquinoxalin-2(1H)-one has 2 hydrogen bond donor(s) and 4 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 3-{2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}octahydroquinoxalin-2(1H)-one?
The CAS number of 3-{2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}octahydroquinoxalin-2(1H)-one is 1033588-83-8.
What is the molecular formula of 3-{2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}octahydroquinoxalin-2(1H)-one?
The molecular formula of 3-{2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}octahydroquinoxalin-2(1H)-one is C27H34N4O2.
What is the molecular weight of 3-{2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}octahydroquinoxalin-2(1H)-one?
The molecular weight of 3-{2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}octahydroquinoxalin-2(1H)-one is 446.27 g/mol.
Where can I buy 3-{2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}octahydroquinoxalin-2(1H)-one?
You can request a quote for 3-{2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}octahydroquinoxalin-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}octahydroquinoxalin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-{2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}octahydroquinoxalin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.