A3008/0126761
TL;DR: A3008/0126761 (CAS 439946-54-0) is a chemical compound with molecular formula C25H26N4O4S and molecular weight 478.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[4-(benzenesulfonyl)piperazin-1-yl]-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline
Also Known As: A3008/0126761, 2-[5-[4-(benzenesulfonyl)piperazin-1-yl]-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline, 2-{2-nitro-5-[4-(phenylsulfonyl)-1-piperazinyl]phenyl}-1,2,3,4-tetrahydroisoquinoline, 2-{2-nitro-5-[4-(phenylsulfonyl)piperazin-1-yl]phenyl}-1,2,3,4-tetrahydroisoquinoline, 2-{5-[4-(BENZENESULFONYL)PIPERAZIN-1-YL]-2-NITROPHENYL}-1,2,3,4-TETRAHYDROISOQUINOLINE
| Molecular Formula | C25H26N4O4S |
|---|---|
| Molecular Weight | 478.17 g/mol |
| LogP | 3.6684 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 478.16748 |
| Heavy Atoms | 34 |
| Complexity | 1305.5007 |
Chemical Identifiers
| CAS Number | 439946-54-0 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)C3=C(C=CC(=C3)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5)[N+](=O)[O-] |
Product Overview
A3008/0126761 (CAS 439946-54-0), with molecular formula C25H26N4O4S and molecular weight 478.17 g/mol. IUPAC: 2-[5-[4-(benzenesulfonyl)piperazin-1-yl]-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline.
Chemical Property Profile of A3008/0126761
Property Insights of A3008/0126761
The XLogP value of 3.6684 indicates that A3008/0126761 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 A3008/0126761. Following Lipinski's Rule of Five, A3008/0126761 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 A3008/0126761?
The CAS number of A3008/0126761 is 439946-54-0.
What is the molecular formula of A3008/0126761?
The molecular formula of A3008/0126761 is C25H26N4O4S.
What is the molecular weight of A3008/0126761?
The molecular weight of A3008/0126761 is 478.17 g/mol.
Where can I buy A3008/0126761?
You can request a quote for A3008/0126761 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3008/0126761?
Yes, KEHONG BIO provides custom synthesis services for A3008/0126761 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.