香柑内酯
TL;DR: 香柑内酯 (CAS 484-20-8) is a chemical compound with molecular formula C12H8O4 and molecular weight 216.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
香柑内酯
4-methoxyfuro[3,2-g]chromen-7-one
Also Known As: Bergapten, 5-Methoxypsoralen, bergaptene, Heraclin, Majudin
| Molecular Formula | C12H8O4 |
|---|---|
| Molecular Weight | 216.04 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 48.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 216.04225 |
| Heavy Atoms | 16 |
| Complexity | 325.0 |
| Melting Point | 187.8 °C (sublimes) |
| Solubility | less than 1 mg/mL at 66 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 484-20-8 |
|---|---|
| SMILES | COC1=C2C=CC(=O)OC2=CC3=C1C=CO3 |
| InChIKey | BGEBZHIAGXMEMV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
香柑内酯 (CAS 484-20-8), with molecular formula C12H8O4 and molecular weight 216.04 g/mol. IUPAC: 4-methoxyfuro[3,2-g]chromen-7-one.
Chemical Property Profile of 香柑内酯
Property Insights of 香柑内酯
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 香柑内酯. With a topological polar surface area (TPSA) of 48.7 Ų, 香柑内酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 香柑内酯 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 香柑内酯?
The CAS number of 香柑内酯 is 484-20-8.
What is the molecular formula of 香柑内酯?
The molecular formula of 香柑内酯 is C12H8O4.
What is the molecular weight of 香柑内酯?
The molecular weight of 香柑内酯 is 216.04 g/mol.
Where can I buy 香柑内酯?
You can request a quote for 香柑内酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 香柑内酯?
Yes, KEHONG BIO provides custom synthesis services for 香柑内酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.