芫荽素
TL;DR: 芫荽素 (CAS 116408-80-1) is a chemical compound with molecular formula C13H10O4 and molecular weight 230.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
芫荽素
4-methoxy-7-methylfuro[2,3-g]isochromen-5-one
Also Known As: Coriandrin, 4-methoxy-7-methylfuro[2,3-g]isochromen-5-one, 4-Methoxy-7-methyl-5H-furo(2,3-g)benzopyran-5-one, 4-methoxy-7-methyluro[2,3-g]isochromen-5-one, 4-methoxy-7-methylfuro(2,3-g)isochromen-5-one
| Molecular Formula | C13H10O4 |
|---|---|
| Molecular Weight | 230.06 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 48.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 230.0579 |
| Heavy Atoms | 17 |
| Complexity | 362.0 |
| Melting Point | 142 - 143 °C |
Chemical Identifiers
| CAS Number | 116408-80-1 |
|---|---|
| SMILES | CC1=CC2=CC3=C(C=CO3)C(=C2C(=O)O1)OC |
| InChIKey | BUZQIMYNOWPYHH-UHFFFAOYSA-N |
Product Overview
芫荽素 (CAS 116408-80-1), with molecular formula C13H10O4 and molecular weight 230.06 g/mol. IUPAC: 4-methoxy-7-methylfuro[2,3-g]isochromen-5-one.
Chemical Property Profile of 芫荽素
Property Insights of 芫荽素
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 芫荽素. With a topological polar surface area (TPSA) of 48.7 Ų, 芫荽素 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 芫荽素 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 芫荽素?
The CAS number of 芫荽素 is 116408-80-1.
What is the molecular formula of 芫荽素?
The molecular formula of 芫荽素 is C13H10O4.
What is the molecular weight of 芫荽素?
The molecular weight of 芫荽素 is 230.06 g/mol.
Where can I buy 芫荽素?
You can request a quote for 芫荽素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 芫荽素?
Yes, KEHONG BIO provides custom synthesis services for 芫荽素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.