9X-0078
TL;DR: 9X-0078 (CAS 1026080-37-4) is a chemical compound with molecular formula C25H22ClN3O3 and molecular weight 447.13498 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-3-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]naphthalene-1,4-dione
Also Known As: 9X-0078, 2-chloro-3-{4-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-1-yl}-1,4-dihydronaphthalene-1,4-dione, 2-chloro-3-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]naphthalene-1,4-dione, 2-chloro-3-{4-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidino}naphthoquinone, 3-chloro-2-[4-[5-(4-methoxyphenyl)-2H-pyrazol-3-yl]-1-piperidyl]naphthalene-1,4-dione
Technical Specifications
| Molecular Formula | C25H22ClN3O3 |
| Molecular Weight | 447.13498 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 75.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 447.13498 Da |
| Heavy Atoms | 32 |
| Complexity | 756.0 |
| SMILES | COC1=CC=C(C=C1)C2=NNC(=C2)C3CCN(CC3)C4=C(C(=O)C5=CC=CC=C5C4=O)Cl |
| InChIKey | ADYOCDYDWDWXQY-UHFFFAOYSA-N |
Chemical Property Profile of 9X-0078
Property Insights of 9X-0078
The XLogP value of 4.8 indicates that 9X-0078 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 9X-0078. Following Lipinski's Rule of Five, 9X-0078 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 9X-0078?
The CAS number of 9X-0078 is 1026080-37-4.
What is the molecular formula of 9X-0078?
The molecular formula of 9X-0078 is C25H22ClN3O3.
What is the molecular weight of 9X-0078?
The molecular weight of 9X-0078 is 447.13498 g/mol.
Where can I buy 9X-0078?
You can request a quote for 9X-0078 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 9X-0078?
Yes, CoreyChem provides custom synthesis services for 9X-0078 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.