RefChem:1065172
TL;DR: RefChem:1065172 (CAS 68746-90-7) is a chemical compound with molecular formula C18H15NO6 and molecular weight 341.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-7-propan-2-yloxychromen-2-one
Also Known As: 7-Isopropoxy-4-(2-(5-nitro-2-furyl)vinyl)coumarin, 2H-1-Benzopyran-2-one, 7-(1-methylethoxy)-4-(2-(5-nitro-2-furanyl)ethenyl)-, (E)-, (E)-7-(1-Methylethoxy)-4-(2-(5-nitro-2-furanyl)ethenyl)-2H-1-benzopyran-2-one, 4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-7-propan-2-yloxychromen-2-one, RefChem:1065172
| Molecular Formula | C18H15NO6 |
|---|---|
| Molecular Weight | 341.09 g/mol |
| LogP | 4.2518 |
| Topological Polar Surface Area | 95.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 341.08994 |
| Heavy Atoms | 25 |
| Complexity | 1011.82336 |
Chemical Identifiers
| CAS Number | 68746-90-7 |
|---|---|
| SMILES | CC(C)OC1=CC2=C(C=C1)C(=CC(=O)O2)/C=C/C3=CC=C(O3)[N+](=O)[O-] |
Product Overview
RefChem:1065172 (CAS 68746-90-7), with molecular formula C18H15NO6 and molecular weight 341.09 g/mol. IUPAC: 4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-7-propan-2-yloxychromen-2-one.
Chemical Property Profile of RefChem:1065172
Property Insights of RefChem:1065172
The XLogP value of 4.2518 indicates that RefChem:1065172 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.72 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1065172. Following Lipinski's Rule of Five, RefChem:1065172 has 0 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:1065172?
The CAS number of RefChem:1065172 is 68746-90-7.
What is the molecular formula of RefChem:1065172?
The molecular formula of RefChem:1065172 is C18H15NO6.
What is the molecular weight of RefChem:1065172?
The molecular weight of RefChem:1065172 is 341.09 g/mol.
Where can I buy RefChem:1065172?
You can request a quote for RefChem:1065172 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1065172?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1065172 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.