4',5'-Dihydro-8-methoxypsoralen
TL;DR: 4',5'-Dihydro-8-methoxypsoralen (CAS 3779-03-1) is a chemical compound with molecular formula C12H10O4 and molecular weight 218.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-methoxy-2,3-dihydrofuro[3,2-g]chromen-7-one
Also Known As: 2,3-Dihydroxanthotoxin, 1-Naphtholphthalein, 9-Methoxy-2H-furo[3,2-g]chromen-7(3H)-one, 9-Methoxy-2,3-dihydrofuro[3,2-g]coumarin, 4',5'-Dihydro-8-methoxypsoralen
| Molecular Formula | C12H10O4 |
|---|---|
| Molecular Weight | 218.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.0579 |
| Heavy Atoms | 16 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 3779-03-1 |
|---|---|
| SMILES | COC1=C2C(=CC3=C1OCC3)C=CC(=O)O2 |
| InChIKey | BUNGCZLFHHXKBX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4',5'-Dihydro-8-methoxypsoralen (CAS 3779-03-1), with molecular formula C12H10O4 and molecular weight 218.06 g/mol. IUPAC: 9-methoxy-2,3-dihydrofuro[3,2-g]chromen-7-one.
Chemical Property Profile of 4',5'-Dihydro-8-methoxypsoralen
Property Insights of 4',5'-Dihydro-8-methoxypsoralen
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4',5'-Dihydro-8-methoxypsoralen. With a topological polar surface area (TPSA) of 44.8 Ų, 4',5'-Dihydro-8-methoxypsoralen exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4',5'-Dihydro-8-methoxypsoralen 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 4',5'-Dihydro-8-methoxypsoralen?
The CAS number of 4',5'-Dihydro-8-methoxypsoralen is 3779-03-1.
What is the molecular formula of 4',5'-Dihydro-8-methoxypsoralen?
The molecular formula of 4',5'-Dihydro-8-methoxypsoralen is C12H10O4.
What is the molecular weight of 4',5'-Dihydro-8-methoxypsoralen?
The molecular weight of 4',5'-Dihydro-8-methoxypsoralen is 218.06 g/mol.
Where can I buy 4',5'-Dihydro-8-methoxypsoralen?
You can request a quote for 4',5'-Dihydro-8-methoxypsoralen directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4',5'-Dihydro-8-methoxypsoralen?
Yes, KEHONG BIO provides custom synthesis services for 4',5'-Dihydro-8-methoxypsoralen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.