1-(Psoralen-8-oxyhexyl)thymine
TL;DR: 1-(Psoralen-8-oxyhexyl)thymine (CAS 78497-54-8) is a chemical compound with molecular formula C22H22N2O6 and molecular weight 410.1478 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methyl-1-[6-(7-oxofuro[3,2-g]chromen-9-yl)oxyhexyl]pyrimidine-2,4-dione
Also Known As: 1-(Psoralen-8-oxyhexyl)thymine, 2,4(1H,3H)-Pyrimidinedione, 5-methyl-1-(6-((7-oxo-7H-furo(3,2-g)(1)benzopyran-9-yl)oxy)hexyl)-, 5-methyl-1-{6-[(7-oxo-7h-furo[3,2-g]chromen-9-yl)oxy]hexyl}pyrimidine-2,4(1h,3h)-dione, 5-methyl-1-[6-(7-oxofuro[3,2-g]chromen-9-yl)oxyhexyl]pyrimid, 5-Methyl-1-(6-((7-oxo-7H-furo(3,2-g)(1)benzopyran-9-yl)oxy)hexyl)-2,4(1H,3H)-pyrimidinedione
Technical Specifications
| Molecular Formula | C22H22N2O6 |
| Molecular Weight | 410.1478 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 98.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 410.1478 Da |
| Heavy Atoms | 30 |
| Complexity | 748.0 |
| SMILES | CC1=CN(C(=O)NC1=O)CCCCCCOC2=C3C(=CC4=C2OC=C4)C=CC(=O)O3 |
| InChIKey | ZASJXZXSIHVXBV-UHFFFAOYSA-N |
Chemical Property Profile of 1-(Psoralen-8-oxyhexyl)thymine
Property Insights of 1-(Psoralen-8-oxyhexyl)thymine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Psoralen-8-oxyhexyl)thymine. The TPSA of 98.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Psoralen-8-oxyhexyl)thymine. Following Lipinski's Rule of Five, 1-(Psoralen-8-oxyhexyl)thymine has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(Psoralen-8-oxyhexyl)thymine?
The CAS number of 1-(Psoralen-8-oxyhexyl)thymine is 78497-54-8.
What is the molecular formula of 1-(Psoralen-8-oxyhexyl)thymine?
The molecular formula of 1-(Psoralen-8-oxyhexyl)thymine is C22H22N2O6.
What is the molecular weight of 1-(Psoralen-8-oxyhexyl)thymine?
The molecular weight of 1-(Psoralen-8-oxyhexyl)thymine is 410.1478 g/mol.
Where can I buy 1-(Psoralen-8-oxyhexyl)thymine?
You can request a quote for 1-(Psoralen-8-oxyhexyl)thymine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(Psoralen-8-oxyhexyl)thymine?
Yes, CoreyChem provides custom synthesis services for 1-(Psoralen-8-oxyhexyl)thymine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.