9X-0027
TL;DR: 9X-0027 (CAS 1030856-24-6) is a chemical compound with molecular formula C22H21ClN4O3 and molecular weight 424.13022 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-[4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-nitrophenyl]ethanone
Also Known As: 9X-0027, 1-(4-{4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidino}-3-nitrophenyl)-1-ethanone, 1-(4-{4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-1-yl}-3-nitrophenyl)ethan-1-one, 1-[4-[4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-nitrophenyl]ethanone
Technical Specifications
| Molecular Formula | C22H21ClN4O3 |
| Molecular Weight | 424.13022 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 94.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 424.13022 Da |
| Heavy Atoms | 30 |
| Complexity | 614.0 |
| SMILES | CC(=O)C1=CC(=C(C=C1)N2CCC(CC2)C3=CC(=NN3)C4=CC=C(C=C4)Cl)[N+](=O)[O-] |
| InChIKey | YDPMXZQJQYSRJX-UHFFFAOYSA-N |
Chemical Property Profile of 9X-0027
Property Insights of 9X-0027
The XLogP value of 4.4 indicates that 9X-0027 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 9X-0027. Following Lipinski's Rule of Five, 9X-0027 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-0027?
The CAS number of 9X-0027 is 1030856-24-6.
What is the molecular formula of 9X-0027?
The molecular formula of 9X-0027 is C22H21ClN4O3.
What is the molecular weight of 9X-0027?
The molecular weight of 9X-0027 is 424.13022 g/mol.
Where can I buy 9X-0027?
You can request a quote for 9X-0027 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 9X-0027?
Yes, CoreyChem provides custom synthesis services for 9X-0027 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.