补骨脂素
TL;DR: 补骨脂素 (CAS 66-97-7) is a chemical compound with molecular formula C11H6O3 and molecular weight 186.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
补骨脂素
furo[3,2-g]chromen-7-one
Also Known As: Psoralen, Ficusin, Furocoumarin, Psoralene, 7H-Furo[3,2-g]chromen-7-one
| Molecular Formula | C11H6O3 |
|---|---|
| Molecular Weight | 186.03 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 39.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 186.0317 |
| Heavy Atoms | 14 |
| Complexity | 284.0 |
| Melting Point | 171 °C |
| Boiling Point | 362.00 to 363.00 °C. @ 760.00 mm Hg |
| Solubility | In water, 65.16 mg/L at 25 °C |
Chemical Identifiers
| CAS Number | 66-97-7 |
|---|---|
| SMILES | C1=CC(=O)OC2=CC3=C(C=CO3)C=C21 |
| InChIKey | ZCCUUQDIBDJBTK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
补骨脂素 (CAS 66-97-7), with molecular formula C11H6O3 and molecular weight 186.03 g/mol. IUPAC: furo[3,2-g]chromen-7-one.
Chemical Property Profile of 补骨脂素
Property Insights of 补骨脂素
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 补骨脂素. With a topological polar surface area (TPSA) of 39.4 Ų, 补骨脂素 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 补骨脂素 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 补骨脂素?
The CAS number of 补骨脂素 is 66-97-7.
What is the molecular formula of 补骨脂素?
The molecular formula of 补骨脂素 is C11H6O3.
What is the molecular weight of 补骨脂素?
The molecular weight of 补骨脂素 is 186.03 g/mol.
Where can I buy 补骨脂素?
You can request a quote for 补骨脂素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 补骨脂素?
Yes, KEHONG BIO provides custom synthesis services for 补骨脂素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.