4,4'-heptane-1,1-diylbis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)
TL;DR: 4,4'-heptane-1,1-diylbis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one) (CAS 7660-44-8) is a chemical compound with molecular formula C29H36N4O2 and molecular weight 472.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)heptyl]-1,5-dimethyl-2-phenylpyrazol-3-one
Also Known As: BAS 00284494, A1218/0056161, 4,4'-(1,1-heptanediyl)bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one), 4,4'-heptane-1,1-diylbis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one), 4,4'-(heptane-1,1-diyl)bis(1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one)
| Molecular Formula | C29H36N4O2 |
|---|---|
| Molecular Weight | 472.28 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 47.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 472.2838 |
| Heavy Atoms | 35 |
| Complexity | 787.0 |
Chemical Identifiers
| CAS Number | 7660-44-8 |
|---|---|
| SMILES | CCCCCCC(C1=C(N(N(C1=O)C2=CC=CC=C2)C)C)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C |
| InChIKey | IJHHLFPNBGOUAS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4'-heptane-1,1-diylbis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one) (CAS 7660-44-8), with molecular formula C29H36N4O2 and molecular weight 472.28 g/mol. IUPAC: 4-[1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)heptyl]-1,5-dimethyl-2-phenylpyrazol-3-one.
Chemical Property Profile of 4,4'-heptane-1,1-diylbis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)
Property Insights of 4,4'-heptane-1,1-diylbis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)
The XLogP value of 7.0 indicates that 4,4'-heptane-1,1-diylbis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.1 Ų, 4,4'-heptane-1,1-diylbis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4'-heptane-1,1-diylbis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one) has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,4'-heptane-1,1-diylbis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)?
The CAS number of 4,4'-heptane-1,1-diylbis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one) is 7660-44-8.
What is the molecular formula of 4,4'-heptane-1,1-diylbis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)?
The molecular formula of 4,4'-heptane-1,1-diylbis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one) is C29H36N4O2.
What is the molecular weight of 4,4'-heptane-1,1-diylbis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)?
The molecular weight of 4,4'-heptane-1,1-diylbis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one) is 472.28 g/mol.
Where can I buy 4,4'-heptane-1,1-diylbis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)?
You can request a quote for 4,4'-heptane-1,1-diylbis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-heptane-1,1-diylbis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-heptane-1,1-diylbis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.