RefChem:1065179
TL;DR: RefChem:1065179 (CAS 68746-95-2) is a chemical compound with molecular formula C16H11NO6 and molecular weight 313.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-hydroxy-8-methyl-4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]chromen-2-one
Also Known As: 7-Hydroxy-8-methyl-4-(2-(5-nitro-2-furyl)vinyl)coumarin, 2H-1-Benzopyran-2-one, 7-hydroxy-8-methyl-4-(2-(5-nitro-2-furanyl)ethenyl)-, (E)-, (E)-7-Hydroxy-8-methyl-4-(2-(5-nitro-2-furanyl)ethenyl)-2H-1-benzopyran-2-one, 7-hydroxy-8-methyl-4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]chromen-2-one, RefChem:1065179
| Molecular Formula | C16H11NO6 |
|---|---|
| Molecular Weight | 313.06 g/mol |
| LogP | 3.47862 |
| Topological Polar Surface Area | 106.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.05862 |
| Heavy Atoms | 23 |
| Complexity | 995.4634 |
Chemical Identifiers
| CAS Number | 68746-95-2 |
|---|---|
| SMILES | CC1=C(C=CC2=C1OC(=O)C=C2/C=C/C3=CC=C(O3)[N+](=O)[O-])O |
Product Overview
RefChem:1065179 (CAS 68746-95-2), with molecular formula C16H11NO6 and molecular weight 313.06 g/mol. IUPAC: 7-hydroxy-8-methyl-4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]chromen-2-one.
Chemical Property Profile of RefChem:1065179
Property Insights of RefChem:1065179
The XLogP value of 3.47862 indicates that RefChem:1065179 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.72 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1065179. Following Lipinski's Rule of Five, RefChem:1065179 has 1 hydrogen bond donor(s) and 6 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 RefChem:1065179?
The CAS number of RefChem:1065179 is 68746-95-2.
What is the molecular formula of RefChem:1065179?
The molecular formula of RefChem:1065179 is C16H11NO6.
What is the molecular weight of RefChem:1065179?
The molecular weight of RefChem:1065179 is 313.06 g/mol.
Where can I buy RefChem:1065179?
You can request a quote for RefChem:1065179 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1065179?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1065179 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.