6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isochromene
TL;DR: 6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isochromene (CAS 92774-39-5) is a chemical compound with molecular formula C17H17NO5 and molecular weight 315.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isochromene
Also Known As: 6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isochromene, 3-Cyclohexene-1-carboxylic acid,octyl ester, 6,7-dimethoxy-1-(3-nitrophenyl)isochromane, J2.314.627D, 1H-2-Benzopyran, 3,4-dihydro-6,7-dimethoxy-1-(3-nitrophenyl)-
| Molecular Formula | C17H17NO5 |
|---|---|
| Molecular Weight | 315.11 g/mol |
| LogP | 3.2741 |
| Topological Polar Surface Area | 70.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.1107 |
| Heavy Atoms | 23 |
| Complexity | 743.7587 |
Chemical Identifiers
| CAS Number | 92774-39-5 |
|---|---|
| SMILES | COC1=C(C=C2C(OCCC2=C1)C3=CC(=CC=C3)[N+](=O)[O-])OC |
Product Overview
6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isochromene (CAS 92774-39-5), with molecular formula C17H17NO5 and molecular weight 315.11 g/mol. IUPAC: 6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isochromene.
Chemical Property Profile of 6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isochromene
Property Insights of 6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isochromene
The XLogP value of 3.2741 indicates that 6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isochromene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isochromene. Following Lipinski's Rule of Five, 6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isochromene has 0 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 6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isochromene?
The CAS number of 6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isochromene is 92774-39-5.
What is the molecular formula of 6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isochromene?
The molecular formula of 6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isochromene is C17H17NO5.
What is the molecular weight of 6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isochromene?
The molecular weight of 6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isochromene is 315.11 g/mol.
Where can I buy 6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isochromene?
You can request a quote for 6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isochromene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isochromene?
Yes, KEHONG BIO provides custom synthesis services for 6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isochromene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.