![4-(3,4-diethoxyphenyl)-2-[4-(thiomorpholine-4-carbonyl)phenyl]-4a,5,6,7,8,8a-hexahydrophthalazin-1-one structure](/static/products/102/1027942-17-1.webp)
4-(3,4-diethoxyphenyl)-2-[4-(thiomorpholine-4-carbonyl)phenyl]-4a,5,6,7,8,8a-hexahydrophthalazin-1-one
TL;DR: 4-(3,4-diethoxyphenyl)-2-[4-(thiomorpholine-4-carbonyl)phenyl]-4a,5,6,7,8,8a-hexahydrophthalazin-1-one (CAS 1027942-17-1) is a chemical compound with molecular formula C29H35N3O4S and molecular weight 521.2348 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(3,4-diethoxyphenyl)-2-[4-(thiomorpholine-4-carbonyl)phenyl]-4a,5,6,7,8,8a-hexahydrophthalazin-1-one
Also Known As: 4-(3,4-diethoxyphenyl)-2-[4-(thiomorpholine-4-carbonyl)phenyl]-4a,5,6,7,8,8a-hexahydrophthalazin-1-one
Technical Specifications
| Molecular Formula | C29H35N3O4S |
| Molecular Weight | 521.2348 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 96.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 521.2348 Da |
| Heavy Atoms | 37 |
| Complexity | 824.0 |
| SMILES | CCOC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CCCC3)C4=CC=C(C=C4)C(=O)N5CCSCC5)OCC |
| InChIKey | WDMICJJETXJZGG-UHFFFAOYSA-N |
Chemical Property Profile of 4-(3,4-diethoxyphenyl)-2-[4-(thiomorpholine-4-carbonyl)phenyl]-4a,5,6,7,8,8a-hexahydrophthalazin-1-one
Property Insights of 4-(3,4-diethoxyphenyl)-2-[4-(thiomorpholine-4-carbonyl)phenyl]-4a,5,6,7,8,8a-hexahydrophthalazin-1-one
The XLogP value of 4.9 indicates that 4-(3,4-diethoxyphenyl)-2-[4-(thiomorpholine-4-carbonyl)phenyl]-4a,5,6,7,8,8a-hexahydrophthalazin-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3,4-diethoxyphenyl)-2-[4-(thiomorpholine-4-carbonyl)phenyl]-4a,5,6,7,8,8a-hexahydrophthalazin-1-one. Following Lipinski's Rule of Five, 4-(3,4-diethoxyphenyl)-2-[4-(thiomorpholine-4-carbonyl)phenyl]-4a,5,6,7,8,8a-hexahydrophthalazin-1-one has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 4-(3,4-diethoxyphenyl)-2-[4-(thiomorpholine-4-carbonyl)phenyl]-4a,5,6,7,8,8a-hexahydrophthalazin-1-one?
The CAS number of 4-(3,4-diethoxyphenyl)-2-[4-(thiomorpholine-4-carbonyl)phenyl]-4a,5,6,7,8,8a-hexahydrophthalazin-1-one is 1027942-17-1.
What is the molecular formula of 4-(3,4-diethoxyphenyl)-2-[4-(thiomorpholine-4-carbonyl)phenyl]-4a,5,6,7,8,8a-hexahydrophthalazin-1-one?
The molecular formula of 4-(3,4-diethoxyphenyl)-2-[4-(thiomorpholine-4-carbonyl)phenyl]-4a,5,6,7,8,8a-hexahydrophthalazin-1-one is C29H35N3O4S.
What is the molecular weight of 4-(3,4-diethoxyphenyl)-2-[4-(thiomorpholine-4-carbonyl)phenyl]-4a,5,6,7,8,8a-hexahydrophthalazin-1-one?
The molecular weight of 4-(3,4-diethoxyphenyl)-2-[4-(thiomorpholine-4-carbonyl)phenyl]-4a,5,6,7,8,8a-hexahydrophthalazin-1-one is 521.2348 g/mol.
Where can I buy 4-(3,4-diethoxyphenyl)-2-[4-(thiomorpholine-4-carbonyl)phenyl]-4a,5,6,7,8,8a-hexahydrophthalazin-1-one?
You can request a quote for 4-(3,4-diethoxyphenyl)-2-[4-(thiomorpholine-4-carbonyl)phenyl]-4a,5,6,7,8,8a-hexahydrophthalazin-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(3,4-diethoxyphenyl)-2-[4-(thiomorpholine-4-carbonyl)phenyl]-4a,5,6,7,8,8a-hexahydrophthalazin-1-one?
Yes, CoreyChem provides custom synthesis services for 4-(3,4-diethoxyphenyl)-2-[4-(thiomorpholine-4-carbonyl)phenyl]-4a,5,6,7,8,8a-hexahydrophthalazin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.