6,8-Dimethyl-2-phenyl-2,3,4a,5,8,8a-hexahydrophthalazine-1,4-dione
TL;DR: 6,8-Dimethyl-2-phenyl-2,3,4a,5,8,8a-hexahydrophthalazine-1,4-dione (CAS 302333-56-8) is a chemical compound with molecular formula C16H18N2O2 and molecular weight 270.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-dimethyl-3-phenyl-4a,5,8,8a-tetrahydro-2H-phthalazine-1,4-dione
Also Known As: BAS 00899826, 6,8-dimethyl-2-phenyl-2,3,4a,5,8,8a-hexahydrophthalazine-1,4-dione, 5,7-dimethyl-3-phenyl-4a,5,8,8a-tetrahydro-2H-phthalazine-1,4-dione, 6,8-Dimethyl-2-phenyl-2,3,4a,5,8,8a-hexahydro-phthalazine-1,4-dione, 6,8-dimethyl-2-phenyl-2,3,4a,5,8,8a-hexahydro-1,4-phthalazinedione
| Molecular Formula | C16H18N2O2 |
|---|---|
| Molecular Weight | 270.14 g/mol |
| LogP | 2.2829 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 270.13684 |
| Heavy Atoms | 20 |
| Complexity | 579.3995 |
Chemical Identifiers
| CAS Number | 302333-56-8 |
|---|---|
| SMILES | CC1C=C(CC2C1C(=O)N(NC2=O)C3=CC=CC=C3)C |
Product Overview
6,8-Dimethyl-2-phenyl-2,3,4a,5,8,8a-hexahydrophthalazine-1,4-dione (CAS 302333-56-8), with molecular formula C16H18N2O2 and molecular weight 270.14 g/mol. IUPAC: 5,7-dimethyl-3-phenyl-4a,5,8,8a-tetrahydro-2H-phthalazine-1,4-dione.
Chemical Property Profile of 6,8-Dimethyl-2-phenyl-2,3,4a,5,8,8a-hexahydrophthalazine-1,4-dione
Property Insights of 6,8-Dimethyl-2-phenyl-2,3,4a,5,8,8a-hexahydrophthalazine-1,4-dione
The XLogP value of 2.2829 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,8-Dimethyl-2-phenyl-2,3,4a,5,8,8a-hexahydrophthalazine-1,4-dione. With a topological polar surface area (TPSA) of 49.41 Ų, 6,8-Dimethyl-2-phenyl-2,3,4a,5,8,8a-hexahydrophthalazine-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,8-Dimethyl-2-phenyl-2,3,4a,5,8,8a-hexahydrophthalazine-1,4-dione has 1 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 6,8-Dimethyl-2-phenyl-2,3,4a,5,8,8a-hexahydrophthalazine-1,4-dione?
The CAS number of 6,8-Dimethyl-2-phenyl-2,3,4a,5,8,8a-hexahydrophthalazine-1,4-dione is 302333-56-8.
What is the molecular formula of 6,8-Dimethyl-2-phenyl-2,3,4a,5,8,8a-hexahydrophthalazine-1,4-dione?
The molecular formula of 6,8-Dimethyl-2-phenyl-2,3,4a,5,8,8a-hexahydrophthalazine-1,4-dione is C16H18N2O2.
What is the molecular weight of 6,8-Dimethyl-2-phenyl-2,3,4a,5,8,8a-hexahydrophthalazine-1,4-dione?
The molecular weight of 6,8-Dimethyl-2-phenyl-2,3,4a,5,8,8a-hexahydrophthalazine-1,4-dione is 270.14 g/mol.
Where can I buy 6,8-Dimethyl-2-phenyl-2,3,4a,5,8,8a-hexahydrophthalazine-1,4-dione?
You can request a quote for 6,8-Dimethyl-2-phenyl-2,3,4a,5,8,8a-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 6,8-Dimethyl-2-phenyl-2,3,4a,5,8,8a-hexahydrophthalazine-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 6,8-Dimethyl-2-phenyl-2,3,4a,5,8,8a-hexahydrophthalazine-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.