4,5-Dimethylpsoralen
TL;DR: 4,5-Dimethylpsoralen (CAS 53380-27-1) is a chemical compound with molecular formula C13H10O3 and molecular weight 214.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dimethylfuro[3,2-g]chromen-7-one
Also Known As: 4,5-Dimethylpsoralen, 4-5'-dimethylpsoralen, 2,5-dimethylfuro[3,2-g]chromen-7-one, 7H-Furo(3,2-g)(1)benzopyran-7-one, 2,5-dimethyl-, 2,5-Dimethyl-7H-furo[3,2-g][1]benzopyran-7-one
| Molecular Formula | C13H10O3 |
|---|---|
| Molecular Weight | 214.06 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 39.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 214.06299 |
| Heavy Atoms | 16 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 53380-27-1 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=C3C=C(OC3=C2)C |
| InChIKey | GJYYXSDOKGEWNX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5-Dimethylpsoralen (CAS 53380-27-1), with molecular formula C13H10O3 and molecular weight 214.06 g/mol. IUPAC: 2,5-dimethylfuro[3,2-g]chromen-7-one.
Chemical Property Profile of 4,5-Dimethylpsoralen
Property Insights of 4,5-Dimethylpsoralen
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dimethylpsoralen. With a topological polar surface area (TPSA) of 39.4 Ų, 4,5-Dimethylpsoralen exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Dimethylpsoralen 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 4,5-Dimethylpsoralen?
The CAS number of 4,5-Dimethylpsoralen is 53380-27-1.
What is the molecular formula of 4,5-Dimethylpsoralen?
The molecular formula of 4,5-Dimethylpsoralen is C13H10O3.
What is the molecular weight of 4,5-Dimethylpsoralen?
The molecular weight of 4,5-Dimethylpsoralen is 214.06 g/mol.
Where can I buy 4,5-Dimethylpsoralen?
You can request a quote for 4,5-Dimethylpsoralen directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dimethylpsoralen?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dimethylpsoralen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.