Coumurrayin
TL;DR: Coumurrayin (CAS 17245-25-9) is a chemical compound with molecular formula C16H18O4 and molecular weight 274.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-dimethoxy-8-(3-methylbut-2-enyl)chromen-2-one
Also Known As: Coumurrayin, 5,7-dimethoxy-8-(3-methylbut-2-enyl)chromen-2-one, 5,7-Dimethoxy-8-(3-methyl-2-butenyl)coumarin, Coumarin, 5,7-dimethoxy-8-(3-methyl-2-butenyl)-, 5,7-Dimethoxy-8-(3-methyl-2-butenyl)-2H-1-benzopyran-2-one
| Molecular Formula | C16H18O4 |
|---|---|
| Molecular Weight | 274.12 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 274.1205 |
| Heavy Atoms | 20 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 17245-25-9 |
|---|---|
| SMILES | CC(=CCC1=C(C=C(C2=C1OC(=O)C=C2)OC)OC)C |
| InChIKey | CPXPWRXPEOMRNV-UHFFFAOYSA-N |
Product Overview
Coumurrayin (CAS 17245-25-9), with molecular formula C16H18O4 and molecular weight 274.12 g/mol. IUPAC: 5,7-dimethoxy-8-(3-methylbut-2-enyl)chromen-2-one.
Chemical Property Profile of Coumurrayin
Property Insights of Coumurrayin
The XLogP value of 3.8 indicates that Coumurrayin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, Coumurrayin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Coumurrayin 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 Coumurrayin?
The CAS number of Coumurrayin is 17245-25-9.
What is the molecular formula of Coumurrayin?
The molecular formula of Coumurrayin is C16H18O4.
What is the molecular weight of Coumurrayin?
The molecular weight of Coumurrayin is 274.12 g/mol.
Where can I buy Coumurrayin?
You can request a quote for Coumurrayin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coumurrayin?
Yes, KEHONG BIO provides custom synthesis services for Coumurrayin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.