6-Methoxy-2,3-dimethyl-5-(2-nitroethenyl)-1-benzofuran
TL;DR: 6-Methoxy-2,3-dimethyl-5-(2-nitroethenyl)-1-benzofuran (CAS 37714-50-4) is a chemical compound with molecular formula C13H13NO4 and molecular weight 247.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methoxy-2,3-dimethyl-5-(2-nitroethenyl)-1-benzofuran
Also Known As: R 5208, 6-methoxy-2,3-dimethyl-5-(2-nitroethenyl)-1-benzofuran, 6-methoxy-2,3-dimethyl-5-[(Z)-2-nitroethenyl]-1-benzofuran
| Molecular Formula | C13H13NO4 |
|---|---|
| Molecular Weight | 247.08 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 68.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.08446 |
| Heavy Atoms | 18 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 37714-50-4 |
|---|---|
| SMILES | CC1=C(OC2=C1C=C(C(=C2)OC)C=C[N+](=O)[O-])C |
| InChIKey | YUJGTLDNFVUXKB-UHFFFAOYSA-N |
Product Overview
6-Methoxy-2,3-dimethyl-5-(2-nitroethenyl)-1-benzofuran (CAS 37714-50-4), with molecular formula C13H13NO4 and molecular weight 247.08 g/mol. IUPAC: 6-methoxy-2,3-dimethyl-5-(2-nitroethenyl)-1-benzofuran.
Chemical Property Profile of 6-Methoxy-2,3-dimethyl-5-(2-nitroethenyl)-1-benzofuran
Property Insights of 6-Methoxy-2,3-dimethyl-5-(2-nitroethenyl)-1-benzofuran
The XLogP value of 3.3 indicates that 6-Methoxy-2,3-dimethyl-5-(2-nitroethenyl)-1-benzofuran is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Methoxy-2,3-dimethyl-5-(2-nitroethenyl)-1-benzofuran. Following Lipinski's Rule of Five, 6-Methoxy-2,3-dimethyl-5-(2-nitroethenyl)-1-benzofuran 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 6-Methoxy-2,3-dimethyl-5-(2-nitroethenyl)-1-benzofuran?
The CAS number of 6-Methoxy-2,3-dimethyl-5-(2-nitroethenyl)-1-benzofuran is 37714-50-4.
What is the molecular formula of 6-Methoxy-2,3-dimethyl-5-(2-nitroethenyl)-1-benzofuran?
The molecular formula of 6-Methoxy-2,3-dimethyl-5-(2-nitroethenyl)-1-benzofuran is C13H13NO4.
What is the molecular weight of 6-Methoxy-2,3-dimethyl-5-(2-nitroethenyl)-1-benzofuran?
The molecular weight of 6-Methoxy-2,3-dimethyl-5-(2-nitroethenyl)-1-benzofuran is 247.08 g/mol.
Where can I buy 6-Methoxy-2,3-dimethyl-5-(2-nitroethenyl)-1-benzofuran?
You can request a quote for 6-Methoxy-2,3-dimethyl-5-(2-nitroethenyl)-1-benzofuran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methoxy-2,3-dimethyl-5-(2-nitroethenyl)-1-benzofuran?
Yes, KEHONG BIO provides custom synthesis services for 6-Methoxy-2,3-dimethyl-5-(2-nitroethenyl)-1-benzofuran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.