2-(3,4-diethoxyphenyl)-8-methoxy-3-nitro-2H-chromene
TL;DR: 2-(3,4-diethoxyphenyl)-8-methoxy-3-nitro-2H-chromene (CAS 96090-16-3) is a chemical compound with molecular formula C20H21NO6 and molecular weight 371.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-diethoxyphenyl)-8-methoxy-3-nitro-2H-chromene
Also Known As: NCI60_019743, 2-(3,4-diethoxyphenyl)-8-methoxy-3-nitro-2H-chromene, 2H-1-benzopyran, 2-(3,4-diethoxyphenyl)-8-methoxy-3-nitro-, 2-(3,4-diethoxyphenyl)-8-methoxy-3-nitro-2h-1-benzopyran, A2705/0115101
| Molecular Formula | C20H21NO6 |
|---|---|
| Molecular Weight | 371.14 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 82.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 371.1369 |
| Heavy Atoms | 27 |
| Complexity | 533.0 |
Chemical Identifiers
| CAS Number | 96090-16-3 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C2C(=CC3=C(O2)C(=CC=C3)OC)[N+](=O)[O-])OCC |
| InChIKey | BCJAUPOXJFTTNG-UHFFFAOYSA-N |
Product Overview
2-(3,4-diethoxyphenyl)-8-methoxy-3-nitro-2H-chromene (CAS 96090-16-3), with molecular formula C20H21NO6 and molecular weight 371.14 g/mol. IUPAC: 2-(3,4-diethoxyphenyl)-8-methoxy-3-nitro-2H-chromene.
Chemical Property Profile of 2-(3,4-diethoxyphenyl)-8-methoxy-3-nitro-2H-chromene
Property Insights of 2-(3,4-diethoxyphenyl)-8-methoxy-3-nitro-2H-chromene
The XLogP value of 4.1 indicates that 2-(3,4-diethoxyphenyl)-8-methoxy-3-nitro-2H-chromene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,4-diethoxyphenyl)-8-methoxy-3-nitro-2H-chromene. Following Lipinski's Rule of Five, 2-(3,4-diethoxyphenyl)-8-methoxy-3-nitro-2H-chromene 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 2-(3,4-diethoxyphenyl)-8-methoxy-3-nitro-2H-chromene?
The CAS number of 2-(3,4-diethoxyphenyl)-8-methoxy-3-nitro-2H-chromene is 96090-16-3.
What is the molecular formula of 2-(3,4-diethoxyphenyl)-8-methoxy-3-nitro-2H-chromene?
The molecular formula of 2-(3,4-diethoxyphenyl)-8-methoxy-3-nitro-2H-chromene is C20H21NO6.
What is the molecular weight of 2-(3,4-diethoxyphenyl)-8-methoxy-3-nitro-2H-chromene?
The molecular weight of 2-(3,4-diethoxyphenyl)-8-methoxy-3-nitro-2H-chromene is 371.14 g/mol.
Where can I buy 2-(3,4-diethoxyphenyl)-8-methoxy-3-nitro-2H-chromene?
You can request a quote for 2-(3,4-diethoxyphenyl)-8-methoxy-3-nitro-2H-chromene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,4-diethoxyphenyl)-8-methoxy-3-nitro-2H-chromene?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-diethoxyphenyl)-8-methoxy-3-nitro-2H-chromene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.