茴芹素
TL;DR: 茴芹素 (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.
茴芹素
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
茴芹素 (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 茴芹素
Property Insights of 茴芹素
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 茴芹素. With a topological polar surface area (TPSA) of 57.9 Ų, 茴芹素 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 茴芹素 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 茴芹素?
The CAS number of 茴芹素 is 131-12-4.
What is the molecular formula of 茴芹素?
The molecular formula of 茴芹素 is C13H10O5.
What is the molecular weight of 茴芹素?
The molecular weight of 茴芹素 is 246.05 g/mol.
Where can I buy 茴芹素?
You can request a quote for 茴芹素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 茴芹素?
Yes, KEHONG BIO provides custom synthesis services for 茴芹素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.