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2-[5-(4-benzylsulfonylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline
TL;DR: 2-[5-(4-benzylsulfonylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline (CAS 433328-91-7) is a chemical compound with molecular formula C26H28N4O4S and molecular weight 492.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(4-benzylsulfonylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline
Also Known As: A3084/0130453, 2-[5-(4-benzylsulfonylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline, 2-{5-[4-(benzylsulfonyl)piperazin-1-yl]-2-nitrophenyl}-1,2,3,4-tetrahydroisoquinoline, 2-[2-NITRO-5-(4-PHENYLMETHANESULFONYLPIPERAZIN-1-YL)PHENYL]-1,2,3,4-TETRAHYDROISOQUINOLINE
| Molecular Formula | C26H28N4O4S |
|---|---|
| Molecular Weight | 492.18 g/mol |
| LogP | 3.8095 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 492.18314 |
| Heavy Atoms | 35 |
| Complexity | 1322.1882 |
Chemical Identifiers
| CAS Number | 433328-91-7 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)C3=C(C=CC(=C3)N4CCN(CC4)S(=O)(=O)CC5=CC=CC=C5)[N+](=O)[O-] |
Product Overview
2-[5-(4-benzylsulfonylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline (CAS 433328-91-7), with molecular formula C26H28N4O4S and molecular weight 492.18 g/mol. IUPAC: 2-[5-(4-benzylsulfonylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline.
Chemical Property Profile of 2-[5-(4-benzylsulfonylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline
Property Insights of 2-[5-(4-benzylsulfonylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline
The XLogP value of 3.8095 indicates that 2-[5-(4-benzylsulfonylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[5-(4-benzylsulfonylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline. Following Lipinski's Rule of Five, 2-[5-(4-benzylsulfonylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline has 0 hydrogen bond donor(s) and 6 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 2-[5-(4-benzylsulfonylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline?
The CAS number of 2-[5-(4-benzylsulfonylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline is 433328-91-7.
What is the molecular formula of 2-[5-(4-benzylsulfonylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline?
The molecular formula of 2-[5-(4-benzylsulfonylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline is C26H28N4O4S.
What is the molecular weight of 2-[5-(4-benzylsulfonylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline?
The molecular weight of 2-[5-(4-benzylsulfonylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline is 492.18 g/mol.
Where can I buy 2-[5-(4-benzylsulfonylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline?
You can request a quote for 2-[5-(4-benzylsulfonylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[5-(4-benzylsulfonylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 2-[5-(4-benzylsulfonylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.