2,3,5,6,7,8-Hexahydrophthalazine-1,4-dione
TL;DR: 2,3,5,6,7,8-Hexahydrophthalazine-1,4-dione (CAS 67279-23-6) is a chemical compound with molecular formula C8H10N2O2 and molecular weight 166.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,5,6,7,8-hexahydrophthalazine-1,4-dione
Also Known As: 2,3,5,6,7,8-hexahydrophthalazine-1,4-dione, 3,4-tetrahydrophthalazin-1,4-dion, 1,4-dihydroxy-5,6,7,8-tetrahydrophthalazine, 1,2,3,4,5,6,7,8-octahydrophthalazine-1,4-dione, 2,3,5,6,7,8-hexahydro-phthalazin-1,4-dione
| Molecular Formula | C8H10N2O2 |
|---|---|
| Molecular Weight | 166.07 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 166.07423 |
| Heavy Atoms | 12 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 67279-23-6 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=O)NNC2=O |
| InChIKey | IQOSUJMDLDGCKD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3,5,6,7,8-Hexahydrophthalazine-1,4-dione (CAS 67279-23-6), with molecular formula C8H10N2O2 and molecular weight 166.07 g/mol. IUPAC: 2,3,5,6,7,8-hexahydrophthalazine-1,4-dione.
Chemical Property Profile of 2,3,5,6,7,8-Hexahydrophthalazine-1,4-dione
Property Insights of 2,3,5,6,7,8-Hexahydrophthalazine-1,4-dione
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,5,6,7,8-Hexahydrophthalazine-1,4-dione. With a topological polar surface area (TPSA) of 58.2 Ų, 2,3,5,6,7,8-Hexahydrophthalazine-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,5,6,7,8-Hexahydrophthalazine-1,4-dione has 2 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 2,3,5,6,7,8-Hexahydrophthalazine-1,4-dione?
The CAS number of 2,3,5,6,7,8-Hexahydrophthalazine-1,4-dione is 67279-23-6.
What is the molecular formula of 2,3,5,6,7,8-Hexahydrophthalazine-1,4-dione?
The molecular formula of 2,3,5,6,7,8-Hexahydrophthalazine-1,4-dione is C8H10N2O2.
What is the molecular weight of 2,3,5,6,7,8-Hexahydrophthalazine-1,4-dione?
The molecular weight of 2,3,5,6,7,8-Hexahydrophthalazine-1,4-dione is 166.07 g/mol.
Where can I buy 2,3,5,6,7,8-Hexahydrophthalazine-1,4-dione?
You can request a quote for 2,3,5,6,7,8-Hexahydrophthalazine-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 2,3,5,6,7,8-Hexahydrophthalazine-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2,3,5,6,7,8-Hexahydrophthalazine-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.