Piperazine, 1-((9,10-dihydro-4-oxo-4H-benzo(4,5)cyclohepta(1,2-b)furan-3-yl)carbonyl)-4-(phenylmethyl)-, monohydrochloride
TL;DR: Piperazine, 1-((9,10-dihydro-4-oxo-4H-benzo(4,5)cyclohepta(1,2-b)furan-3-yl)carbonyl)-4-(phenylmethyl)-, monohydrochloride (CAS 83494-81-9) is a chemical compound with molecular formula C25H25ClN2O3 and molecular weight 436.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-benzylpiperazine-1-carbonyl)-6-oxatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-one;hydrochloride
Also Known As: Piperazine, 1-((9,10-dihydro-4-oxo-4H-benzo(4,5)cyclohepta(1,2-b)furan-3-yl)carbonyl)-4-(phenylmethyl)-, monohydrochloride, 3-(4-Benzylpiperazine-1-carbonyl)-9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]furan-4-one--hydrogen chloride (1/1), RefChem:371839
| Molecular Formula | C25H25ClN2O3 |
|---|---|
| Molecular Weight | 436.16 g/mol |
| LogP | 3.989 |
| Topological Polar Surface Area | 53.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 436.15536 |
| Heavy Atoms | 31 |
| Complexity | 1085.1564 |
Chemical Identifiers
| CAS Number | 83494-81-9 |
|---|---|
| SMILES | C1CC2=C(C(=CO2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)C(=O)C5=CC=CC=C51.Cl |
Product Overview
Piperazine, 1-((9,10-dihydro-4-oxo-4H-benzo(4,5)cyclohepta(1,2-b)furan-3-yl)carbonyl)-4-(phenylmethyl)-, monohydrochloride (CAS 83494-81-9), with molecular formula C25H25ClN2O3 and molecular weight 436.16 g/mol. IUPAC: 4-(4-benzylpiperazine-1-carbonyl)-6-oxatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-one;hydrochloride.
Chemical Property Profile of Piperazine, 1-((9,10-dihydro-4-oxo-4H-benzo(4,5)cyclohepta(1,2-b)furan-3-yl)carbonyl)-4-(phenylmethyl)-, monohydrochloride
Property Insights of Piperazine, 1-((9,10-dihydro-4-oxo-4H-benzo(4,5)cyclohepta(1,2-b)furan-3-yl)carbonyl)-4-(phenylmethyl)-, monohydrochloride
The XLogP value of 3.989 indicates that Piperazine, 1-((9,10-dihydro-4-oxo-4H-benzo(4,5)cyclohepta(1,2-b)furan-3-yl)carbonyl)-4-(phenylmethyl)-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.76 Ų, Piperazine, 1-((9,10-dihydro-4-oxo-4H-benzo(4,5)cyclohepta(1,2-b)furan-3-yl)carbonyl)-4-(phenylmethyl)-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperazine, 1-((9,10-dihydro-4-oxo-4H-benzo(4,5)cyclohepta(1,2-b)furan-3-yl)carbonyl)-4-(phenylmethyl)-, monohydrochloride has 0 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 Piperazine, 1-((9,10-dihydro-4-oxo-4H-benzo(4,5)cyclohepta(1,2-b)furan-3-yl)carbonyl)-4-(phenylmethyl)-, monohydrochloride?
The CAS number of Piperazine, 1-((9,10-dihydro-4-oxo-4H-benzo(4,5)cyclohepta(1,2-b)furan-3-yl)carbonyl)-4-(phenylmethyl)-, monohydrochloride is 83494-81-9.
What is the molecular formula of Piperazine, 1-((9,10-dihydro-4-oxo-4H-benzo(4,5)cyclohepta(1,2-b)furan-3-yl)carbonyl)-4-(phenylmethyl)-, monohydrochloride?
The molecular formula of Piperazine, 1-((9,10-dihydro-4-oxo-4H-benzo(4,5)cyclohepta(1,2-b)furan-3-yl)carbonyl)-4-(phenylmethyl)-, monohydrochloride is C25H25ClN2O3.
What is the molecular weight of Piperazine, 1-((9,10-dihydro-4-oxo-4H-benzo(4,5)cyclohepta(1,2-b)furan-3-yl)carbonyl)-4-(phenylmethyl)-, monohydrochloride?
The molecular weight of Piperazine, 1-((9,10-dihydro-4-oxo-4H-benzo(4,5)cyclohepta(1,2-b)furan-3-yl)carbonyl)-4-(phenylmethyl)-, monohydrochloride is 436.16 g/mol.
Where can I buy Piperazine, 1-((9,10-dihydro-4-oxo-4H-benzo(4,5)cyclohepta(1,2-b)furan-3-yl)carbonyl)-4-(phenylmethyl)-, monohydrochloride?
You can request a quote for Piperazine, 1-((9,10-dihydro-4-oxo-4H-benzo(4,5)cyclohepta(1,2-b)furan-3-yl)carbonyl)-4-(phenylmethyl)-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Piperazine, 1-((9,10-dihydro-4-oxo-4H-benzo(4,5)cyclohepta(1,2-b)furan-3-yl)carbonyl)-4-(phenylmethyl)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Piperazine, 1-((9,10-dihydro-4-oxo-4H-benzo(4,5)cyclohepta(1,2-b)furan-3-yl)carbonyl)-4-(phenylmethyl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.