3-(4-Chlorophenyl)phthalazin-3-ium-1-olate
TL;DR: 3-(4-Chlorophenyl)phthalazin-3-ium-1-olate (CAS 156453-05-3) is a chemical compound with molecular formula C14H9ClN2O and molecular weight 256.04034 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-chlorophenyl)phthalazin-3-ium-1-olate
Also Known As: 3-(4-chlorophenyl)phthalazin-3-ium-1-olate, 2-(4-chlorophenyl)-2, 3-(4-chlorophenyl)phthalazin-1-olate, 2-(4-chlorophenyl)-2lambda5-phthalazin-2-ylium-4-olate, 1M-008
Technical Specifications
| Molecular Formula | C14H9ClN2O |
| Molecular Weight | 256.04034 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 39.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 256.04034 Da |
| Heavy Atoms | 18 |
| Complexity | 281.0 |
| SMILES | C1=CC=C2C(=C1)C=[N+](N=C2[O-])C3=CC=C(C=C3)Cl |
| InChIKey | WENMELRXJYNJOM-UHFFFAOYSA-N |
Chemical Property Profile of 3-(4-Chlorophenyl)phthalazin-3-ium-1-olate
Property Insights of 3-(4-Chlorophenyl)phthalazin-3-ium-1-olate
The XLogP value of 4.7 indicates that 3-(4-Chlorophenyl)phthalazin-3-ium-1-olate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.8 Ų, 3-(4-Chlorophenyl)phthalazin-3-ium-1-olate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Chlorophenyl)phthalazin-3-ium-1-olate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(4-Chlorophenyl)phthalazin-3-ium-1-olate?
The CAS number of 3-(4-Chlorophenyl)phthalazin-3-ium-1-olate is 156453-05-3.
What is the molecular formula of 3-(4-Chlorophenyl)phthalazin-3-ium-1-olate?
The molecular formula of 3-(4-Chlorophenyl)phthalazin-3-ium-1-olate is C14H9ClN2O.
What is the molecular weight of 3-(4-Chlorophenyl)phthalazin-3-ium-1-olate?
The molecular weight of 3-(4-Chlorophenyl)phthalazin-3-ium-1-olate is 256.04034 g/mol.
Where can I buy 3-(4-Chlorophenyl)phthalazin-3-ium-1-olate?
You can request a quote for 3-(4-Chlorophenyl)phthalazin-3-ium-1-olate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4-Chlorophenyl)phthalazin-3-ium-1-olate?
Yes, CoreyChem provides custom synthesis services for 3-(4-Chlorophenyl)phthalazin-3-ium-1-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.