4'-Methylazapsoralen
TL;DR: 4'-Methylazapsoralen (CAS 120482-94-2) is a chemical compound with molecular formula C11H7NO3 and molecular weight 201.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methylfuro[3,2-g][1,3]benzoxazin-2-one
Also Known As: 4'-Methylazapsoralen, 4-Methyl-8-azapsoralen, 6-methylfuro[3,2-g][1,3]benzoxazin-2-one, 6-Methyl-2H-furo[3,2-g][1,3]benzoxazin-2-one
| Molecular Formula | C11H7NO3 |
|---|---|
| Molecular Weight | 201.04 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 201.04259 |
| Heavy Atoms | 15 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 120482-94-2 |
|---|---|
| SMILES | CC1=COC2=C1C=C3C=NC(=O)OC3=C2 |
| InChIKey | WNWOOVDMWVQDPB-UHFFFAOYSA-N |
Product Overview
4'-Methylazapsoralen (CAS 120482-94-2), with molecular formula C11H7NO3 and molecular weight 201.04 g/mol. IUPAC: 6-methylfuro[3,2-g][1,3]benzoxazin-2-one.
Chemical Property Profile of 4'-Methylazapsoralen
Property Insights of 4'-Methylazapsoralen
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-Methylazapsoralen. With a topological polar surface area (TPSA) of 51.8 Ų, 4'-Methylazapsoralen exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-Methylazapsoralen has 0 hydrogen bond donor(s) and 3 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 4'-Methylazapsoralen?
The CAS number of 4'-Methylazapsoralen is 120482-94-2.
What is the molecular formula of 4'-Methylazapsoralen?
The molecular formula of 4'-Methylazapsoralen is C11H7NO3.
What is the molecular weight of 4'-Methylazapsoralen?
The molecular weight of 4'-Methylazapsoralen is 201.04 g/mol.
Where can I buy 4'-Methylazapsoralen?
You can request a quote for 4'-Methylazapsoralen directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Methylazapsoralen?
Yes, KEHONG BIO provides custom synthesis services for 4'-Methylazapsoralen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.