Phthalazine 2-oxide
TL;DR: Phthalazine 2-oxide (CAS 18636-89-0) is a chemical compound with molecular formula C8H6N2O and molecular weight 146.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxidophthalazin-2-ium
Also Known As: Phthalazine 2-oxide, Phthalazine-2-oxide, phthalazine oxide, Phthalazine N-oxide, 2-Oxide phthalazine
| Molecular Formula | C8H6N2O |
|---|---|
| Molecular Weight | 146.05 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 38.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 146.04802 |
| Heavy Atoms | 11 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 18636-89-0 |
|---|---|
| SMILES | C1=CC=C2C=[N+](N=CC2=C1)[O-] |
| InChIKey | PRBHEDKMKAOBBP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phthalazine 2-oxide (CAS 18636-89-0), with molecular formula C8H6N2O and molecular weight 146.05 g/mol. IUPAC: 2-oxidophthalazin-2-ium.
Chemical Property Profile of Phthalazine 2-oxide
Property Insights of Phthalazine 2-oxide
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phthalazine 2-oxide. With a topological polar surface area (TPSA) of 38.4 Ų, Phthalazine 2-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phthalazine 2-oxide 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
Frequently Asked Questions
What is the CAS number of Phthalazine 2-oxide?
The CAS number of Phthalazine 2-oxide is 18636-89-0.
What is the molecular formula of Phthalazine 2-oxide?
The molecular formula of Phthalazine 2-oxide is C8H6N2O.
What is the molecular weight of Phthalazine 2-oxide?
The molecular weight of Phthalazine 2-oxide is 146.05 g/mol.
Where can I buy Phthalazine 2-oxide?
You can request a quote for Phthalazine 2-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phthalazine 2-oxide?
Yes, KEHONG BIO provides custom synthesis services for Phthalazine 2-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.