白芷素
TL;DR: 白芷素 (CAS 523-50-2) 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.
白芷素
furo[2,3-h]chromen-2-one
Also Known As: Angelicin, ISOPSORALEN, Angecin, 2H-Furo[2,3-H]chromen-2-one, furo[2,3-h]chromen-2-one
| Molecular Formula | C11H6O3 |
|---|---|
| Molecular Weight | 186.03 g/mol |
| LogP | 2.0 |
| 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 | 140 °C |
| Boiling Point | 360.00 to 362.00 °C. @ 760.00 mm Hg |
| Solubility | In water, 20 mg/L |
| Vapor Pressure | 0.0000224 [mmHg] |
Chemical Identifiers
| CAS Number | 523-50-2 |
|---|---|
| SMILES | C1=CC2=C(C=CO2)C3=C1C=CC(=O)O3 |
| InChIKey | XDROKJSWHURZGO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
白芷素 (CAS 523-50-2), with molecular formula C11H6O3 and molecular weight 186.03 g/mol. IUPAC: furo[2,3-h]chromen-2-one.
Chemical Property Profile of 白芷素
Property Insights of 白芷素
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 白芷素. With a topological polar surface area (TPSA) of 39.4 Ų, 白芷素 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 白芷素 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 白芷素?
The CAS number of 白芷素 is 523-50-2.
What is the molecular formula of 白芷素?
The molecular formula of 白芷素 is C11H6O3.
What is the molecular weight of 白芷素?
The molecular weight of 白芷素 is 186.03 g/mol.
Where can I buy 白芷素?
You can request a quote for 白芷素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 白芷素?
Yes, KEHONG BIO provides custom synthesis services for 白芷素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.