1,4,4a,8a-Tetrahydrophthalazine-1,4-dione
TL;DR: 1,4,4a,8a-Tetrahydrophthalazine-1,4-dione (CAS 1445-69-8) is a chemical compound with molecular formula C8H6N2O2 and molecular weight 162.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4a,8a-dihydrophthalazine-1,4-dione
Also Known As: Phthalhydrazide, Phthalocyclohydrazide, 1,4-Phthalazinediol, N,N'-Phthaloylhydrazine, Phthalic acid cyclic hydrazide
| Molecular Formula | C8H6N2O2 |
|---|---|
| Molecular Weight | 162.04 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.04292 |
| Heavy Atoms | 12 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 1445-69-8 |
|---|---|
| SMILES | C1=CC2C(C=C1)C(=O)N=NC2=O |
| InChIKey | JNQUJPBFSQETPT-UHFFFAOYSA-N |
Product Overview
1,4,4a,8a-Tetrahydrophthalazine-1,4-dione (CAS 1445-69-8), with molecular formula C8H6N2O2 and molecular weight 162.04 g/mol. IUPAC: 4a,8a-dihydrophthalazine-1,4-dione.
Chemical Property Profile of 1,4,4a,8a-Tetrahydrophthalazine-1,4-dione
Property Insights of 1,4,4a,8a-Tetrahydrophthalazine-1,4-dione
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4,4a,8a-Tetrahydrophthalazine-1,4-dione. With a topological polar surface area (TPSA) of 58.9 Ų, 1,4,4a,8a-Tetrahydrophthalazine-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4,4a,8a-Tetrahydrophthalazine-1,4-dione 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 1,4,4a,8a-Tetrahydrophthalazine-1,4-dione?
The CAS number of 1,4,4a,8a-Tetrahydrophthalazine-1,4-dione is 1445-69-8.
What is the molecular formula of 1,4,4a,8a-Tetrahydrophthalazine-1,4-dione?
The molecular formula of 1,4,4a,8a-Tetrahydrophthalazine-1,4-dione is C8H6N2O2.
What is the molecular weight of 1,4,4a,8a-Tetrahydrophthalazine-1,4-dione?
The molecular weight of 1,4,4a,8a-Tetrahydrophthalazine-1,4-dione is 162.04 g/mol.
Where can I buy 1,4,4a,8a-Tetrahydrophthalazine-1,4-dione?
You can request a quote for 1,4,4a,8a-Tetrahydrophthalazine-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4,4a,8a-Tetrahydrophthalazine-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,4,4a,8a-Tetrahydrophthalazine-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.