Peuruthenicin
TL;DR: Peuruthenicin (CAS 52591-14-7) is a chemical compound with molecular formula C11H8O5 and molecular weight 220.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 7-hydroxy-2-oxochromene-6-carboxylate
Also Known As: Peuruthenicin, 6-Carbomethoxy-7-hydroxycoumarin, 7-hydroxy-6-(methoxycarbonyl)coumarin, methyl 7-hydroxy-2-oxochromene-6-carboxylate, methyl 7-hydroxy-2-oxo-chromene-6-carboxylate
| Molecular Formula | C11H8O5 |
|---|---|
| Molecular Weight | 220.04 g/mol |
| LogP | 1.2852 |
| Topological Polar Surface Area | 76.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.03717 |
| Heavy Atoms | 16 |
| Complexity | 611.2913 |
Chemical Identifiers
| CAS Number | 52591-14-7 |
|---|---|
| SMILES | COC(=O)C1=C(C=C2C(=C1)C=CC(=O)O2)O |
Product Overview
Peuruthenicin (CAS 52591-14-7), with molecular formula C11H8O5 and molecular weight 220.04 g/mol. IUPAC: methyl 7-hydroxy-2-oxochromene-6-carboxylate.
Chemical Property Profile of Peuruthenicin
Property Insights of Peuruthenicin
The XLogP value of 1.2852 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Peuruthenicin. The TPSA of 76.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Peuruthenicin. Following Lipinski's Rule of Five, Peuruthenicin has 1 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 Peuruthenicin?
The CAS number of Peuruthenicin is 52591-14-7.
What is the molecular formula of Peuruthenicin?
The molecular formula of Peuruthenicin is C11H8O5.
What is the molecular weight of Peuruthenicin?
The molecular weight of Peuruthenicin is 220.04 g/mol.
Where can I buy Peuruthenicin?
You can request a quote for Peuruthenicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Peuruthenicin?
Yes, KEHONG BIO provides custom synthesis services for Peuruthenicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.