虎耳草素
TL;DR: 虎耳草素 (CAS 131-12-4) is a chemical compound with molecular formula C13H10O5 and molecular weight 246.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
虎耳草素
5,6-dimethoxyfuro[2,3-h]chromen-2-one
Also Known As: pimpinellin, Pimpinecilin, Pimpinelline, 5,6-Dimethoxy-2H-furo[2,3-H]chromen-2-one, Pimpinellidine
| Molecular Formula | C13H10O5 |
|---|---|
| Molecular Weight | 246.05 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.05283 |
| Heavy Atoms | 18 |
| Complexity | 366.0 |
| Melting Point | 119 °C |
| Solubility | Practically insoluble in water |
Chemical Identifiers
| CAS Number | 131-12-4 |
|---|---|
| SMILES | COC1=C(C2=C(C=CO2)C3=C1C=CC(=O)O3)OC |
| InChIKey | BQPRWZCEKZLBHL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
虎耳草素 (CAS 131-12-4), with molecular formula C13H10O5 and molecular weight 246.05 g/mol. IUPAC: 5,6-dimethoxyfuro[2,3-h]chromen-2-one.
Chemical Property Profile of 虎耳草素
Property Insights of 虎耳草素
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 虎耳草素. With a topological polar surface area (TPSA) of 57.9 Ų, 虎耳草素 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 虎耳草素 has 0 hydrogen bond donor(s) and 5 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 虎耳草素?
The CAS number of 虎耳草素 is 131-12-4.
What is the molecular formula of 虎耳草素?
The molecular formula of 虎耳草素 is C13H10O5.
What is the molecular weight of 虎耳草素?
The molecular weight of 虎耳草素 is 246.05 g/mol.
Where can I buy 虎耳草素?
You can request a quote for 虎耳草素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 虎耳草素?
Yes, KEHONG BIO provides custom synthesis services for 虎耳草素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.