6-{4-Nitrophenyl}-2-methoxy-3-cyclohexene-1,1-dicarbonitrile
TL;DR: 6-{4-Nitrophenyl}-2-methoxy-3-cyclohexene-1,1-dicarbonitrile (CAS 503559-34-0) is a chemical compound with molecular formula C15H13N3O3 and molecular weight 283.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxy-6-(4-nitrophenyl)cyclohex-3-ene-1,1-dicarbonitrile
Also Known As: 6-{4-nitrophenyl}-2-methoxy-3-cyclohexene-1,1-dicarbonitrile, 2-methoxy-6-(4-nitrophenyl)cyclohex-3-ene-1,1-dicarbonitrile
| Molecular Formula | C15H13N3O3 |
|---|---|
| Molecular Weight | 283.10 g/mol |
| LogP | 2.68686 |
| Topological Polar Surface Area | 99.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.0957 |
| Heavy Atoms | 21 |
| Complexity | 638.2268 |
Chemical Identifiers
| CAS Number | 503559-34-0 |
|---|---|
| SMILES | COC1C=CCC(C1(C#N)C#N)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
6-{4-Nitrophenyl}-2-methoxy-3-cyclohexene-1,1-dicarbonitrile (CAS 503559-34-0), with molecular formula C15H13N3O3 and molecular weight 283.10 g/mol. IUPAC: 2-methoxy-6-(4-nitrophenyl)cyclohex-3-ene-1,1-dicarbonitrile.
Chemical Property Profile of 6-{4-Nitrophenyl}-2-methoxy-3-cyclohexene-1,1-dicarbonitrile
Property Insights of 6-{4-Nitrophenyl}-2-methoxy-3-cyclohexene-1,1-dicarbonitrile
The XLogP value of 2.68686 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-{4-Nitrophenyl}-2-methoxy-3-cyclohexene-1,1-dicarbonitrile. The TPSA of 99.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-{4-Nitrophenyl}-2-methoxy-3-cyclohexene-1,1-dicarbonitrile. Following Lipinski's Rule of Five, 6-{4-Nitrophenyl}-2-methoxy-3-cyclohexene-1,1-dicarbonitrile 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-{4-Nitrophenyl}-2-methoxy-3-cyclohexene-1,1-dicarbonitrile?
The CAS number of 6-{4-Nitrophenyl}-2-methoxy-3-cyclohexene-1,1-dicarbonitrile is 503559-34-0.
What is the molecular formula of 6-{4-Nitrophenyl}-2-methoxy-3-cyclohexene-1,1-dicarbonitrile?
The molecular formula of 6-{4-Nitrophenyl}-2-methoxy-3-cyclohexene-1,1-dicarbonitrile is C15H13N3O3.
What is the molecular weight of 6-{4-Nitrophenyl}-2-methoxy-3-cyclohexene-1,1-dicarbonitrile?
The molecular weight of 6-{4-Nitrophenyl}-2-methoxy-3-cyclohexene-1,1-dicarbonitrile is 283.10 g/mol.
Where can I buy 6-{4-Nitrophenyl}-2-methoxy-3-cyclohexene-1,1-dicarbonitrile?
You can request a quote for 6-{4-Nitrophenyl}-2-methoxy-3-cyclohexene-1,1-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-{4-Nitrophenyl}-2-methoxy-3-cyclohexene-1,1-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-{4-Nitrophenyl}-2-methoxy-3-cyclohexene-1,1-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.