3-Methoxy-4'-methylpsoralen
TL;DR: 3-Methoxy-4'-methylpsoralen (CAS 79418-47-6) is a chemical compound with molecular formula C13H10O4 and molecular weight 230.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methoxy-3-methylfuro[3,2-g]chromen-7-one
Also Known As: 3-Methoxy-4'-methylpsoralen, 6-methoxy-3-methylfuro[3,2-g]chromen-7-one, 6-Methoxy-3-methyl-7H-furo(3,2-g)(1)benzopyran-7-one, 7H-Furo(3,2-g)(1)benzopyran-7-one, 6-methoxy-3-methyl-, 6-Methoxy-3-methyl-7H-furo[3,2-g][1]benzopyran-7-one
| Molecular Formula | C13H10O4 |
|---|---|
| Molecular Weight | 230.06 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 48.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 230.0579 |
| Heavy Atoms | 17 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 79418-47-6 |
|---|---|
| SMILES | CC1=COC2=C1C=C3C=C(C(=O)OC3=C2)OC |
| InChIKey | BDLQXDUSRMYDNS-UHFFFAOYSA-N |
Product Overview
3-Methoxy-4'-methylpsoralen (CAS 79418-47-6), with molecular formula C13H10O4 and molecular weight 230.06 g/mol. IUPAC: 6-methoxy-3-methylfuro[3,2-g]chromen-7-one.
Chemical Property Profile of 3-Methoxy-4'-methylpsoralen
Property Insights of 3-Methoxy-4'-methylpsoralen
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methoxy-4'-methylpsoralen. With a topological polar surface area (TPSA) of 48.7 Ų, 3-Methoxy-4'-methylpsoralen exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methoxy-4'-methylpsoralen 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
Frequently Asked Questions
What is the CAS number of 3-Methoxy-4'-methylpsoralen?
The CAS number of 3-Methoxy-4'-methylpsoralen is 79418-47-6.
What is the molecular formula of 3-Methoxy-4'-methylpsoralen?
The molecular formula of 3-Methoxy-4'-methylpsoralen is C13H10O4.
What is the molecular weight of 3-Methoxy-4'-methylpsoralen?
The molecular weight of 3-Methoxy-4'-methylpsoralen is 230.06 g/mol.
Where can I buy 3-Methoxy-4'-methylpsoralen?
You can request a quote for 3-Methoxy-4'-methylpsoralen directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxy-4'-methylpsoralen?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxy-4'-methylpsoralen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.