1-(Psoralen-8-oxypentyl)thymine
TL;DR: 1-(Psoralen-8-oxypentyl)thymine (CAS 78497-52-6) is a chemical compound with molecular formula C21H20N2O6 and molecular weight 396.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-1-[5-(7-oxofuro[3,2-g]chromen-9-yl)oxypentyl]pyrimidine-2,4-dione
Also Known As: 1-(Psoralen-8-oxypentyl)thymine, 2,4(1H,3H)-Pyrimidinedione, 5-methyl-1-(5-((7-oxo-7H-furo(3,2-g)(1)benzopyran-9-yl)oxy)pentyl)-, 5-Methyl-1-(5-((7-oxo-7H-furo(3,2-g)(1)benzopyran-9-yl)oxy)pentyl)-2,4(1H,3H)-pyrimidinedione, 5-methyl-1-[5-(7-oxofuro[3,2-g]chromen-9-yl)oxypentyl]pyrimidine-2,4-dione, 2,4(1H,3H)-Pyrimidinedione,5-methyl-1-[5-[(7-oxo-7H-furo[3,2-g][1]benzopyran-9-yl)oxy]pentyl]-
| Molecular Formula | C21H20N2O6 |
|---|---|
| Molecular Weight | 396.13 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 98.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 396.13214 |
| Heavy Atoms | 29 |
| Complexity | 733.0 |
Chemical Identifiers
| CAS Number | 78497-52-6 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)CCCCCOC2=C3C(=CC4=C2OC=C4)C=CC(=O)O3 |
| InChIKey | PRFRBCAMTVUDJA-UHFFFAOYSA-N |
Product Overview
1-(Psoralen-8-oxypentyl)thymine (CAS 78497-52-6), with molecular formula C21H20N2O6 and molecular weight 396.13 g/mol. IUPAC: 5-methyl-1-[5-(7-oxofuro[3,2-g]chromen-9-yl)oxypentyl]pyrimidine-2,4-dione.
Chemical Property Profile of 1-(Psoralen-8-oxypentyl)thymine
Property Insights of 1-(Psoralen-8-oxypentyl)thymine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Psoralen-8-oxypentyl)thymine. The TPSA of 98.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Psoralen-8-oxypentyl)thymine. Following Lipinski's Rule of Five, 1-(Psoralen-8-oxypentyl)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
Frequently Asked Questions
What is the CAS number of 1-(Psoralen-8-oxypentyl)thymine?
The CAS number of 1-(Psoralen-8-oxypentyl)thymine is 78497-52-6.
What is the molecular formula of 1-(Psoralen-8-oxypentyl)thymine?
The molecular formula of 1-(Psoralen-8-oxypentyl)thymine is C21H20N2O6.
What is the molecular weight of 1-(Psoralen-8-oxypentyl)thymine?
The molecular weight of 1-(Psoralen-8-oxypentyl)thymine is 396.13 g/mol.
Where can I buy 1-(Psoralen-8-oxypentyl)thymine?
You can request a quote for 1-(Psoralen-8-oxypentyl)thymine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Psoralen-8-oxypentyl)thymine?
Yes, KEHONG BIO provides custom synthesis services for 1-(Psoralen-8-oxypentyl)thymine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.