4-Methyl-4',5'-benzo-8-azapsoralen
TL;DR: 4-Methyl-4',5'-benzo-8-azapsoralen (CAS 120483-03-6) is a chemical compound with molecular formula C15H9NO3 and molecular weight 251.05824 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-methyl-4,17-dioxa-2-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,6,8,11,13,15-heptaen-5-one
Also Known As: 3-Hydroxybutyrylpantetheine, 4-Methyl-4',5'-benzo-8-azapsoralen, 4-Methyl-2H-[1]benzofuro[2,3-b]pyrano[3,2-e]pyridin-2-one
Technical Specifications
| Molecular Formula | C15H9NO3 |
| Molecular Weight | 251.05824 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 52.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 251.05824 Da |
| Heavy Atoms | 19 |
| Complexity | 433.0 |
| SMILES | CC1=CC(=O)OC2=NC3=C(C=C12)C4=CC=CC=C4O3 |
| InChIKey | CIBVEEUBFJRZMN-UHFFFAOYSA-N |
Chemical Property Profile of 4-Methyl-4',5'-benzo-8-azapsoralen
Property Insights of 4-Methyl-4',5'-benzo-8-azapsoralen
The XLogP value of 3.2 indicates that 4-Methyl-4',5'-benzo-8-azapsoralen is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.3 Ų, 4-Methyl-4',5'-benzo-8-azapsoralen exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-4',5'-benzo-8-azapsoralen has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Methyl-4',5'-benzo-8-azapsoralen?
The CAS number of 4-Methyl-4',5'-benzo-8-azapsoralen is 120483-03-6.
What is the molecular formula of 4-Methyl-4',5'-benzo-8-azapsoralen?
The molecular formula of 4-Methyl-4',5'-benzo-8-azapsoralen is C15H9NO3.
What is the molecular weight of 4-Methyl-4',5'-benzo-8-azapsoralen?
The molecular weight of 4-Methyl-4',5'-benzo-8-azapsoralen is 251.05824 g/mol.
Where can I buy 4-Methyl-4',5'-benzo-8-azapsoralen?
You can request a quote for 4-Methyl-4',5'-benzo-8-azapsoralen directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Methyl-4',5'-benzo-8-azapsoralen?
Yes, CoreyChem provides custom synthesis services for 4-Methyl-4',5'-benzo-8-azapsoralen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.