![1-(2,4-dinitrophenyl)-8-methoxy-5,6-dihydro-4H-benzo[1,2]cyc structure](/static/products/7100/71007-77-7.webp)
1-(2,4-dinitrophenyl)-8-methoxy-5,6-dihydro-4H-benzo[1,2]cyc
TL;DR: 1-(2,4-dinitrophenyl)-8-methoxy-5,6-dihydro-4H-benzo[1,2]cyc (CAS 71007-77-7) is a chemical compound with molecular formula C19H16N4O6 and molecular weight 396.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,4-dinitrophenyl)-12-methoxy-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-13-ol
Also Known As: 1-(2,4-dinitrophenyl)-8-methoxy-5,6-dihydro-4H-benzo[1,2]cyc, 1-(2,4-Dinitrophenyl)-8-methoxy-1,4,5,6-tetrahydrobenzo[6,7]cyclohepta[1,2-c]pyrazol-9-ol, 3-(2,4-Dinitrophenyl)-12-methoxy-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-13-ol
| Molecular Formula | C19H16N4O6 |
|---|---|
| Molecular Weight | 396.11 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 396.107 |
| Heavy Atoms | 29 |
| Complexity | 625.0 |
Chemical Identifiers
| CAS Number | 71007-77-7 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)CCCC3=C2N(N=C3)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])O |
| InChIKey | OBTIVPXUZUADHK-UHFFFAOYSA-N |
Product Overview
1-(2,4-dinitrophenyl)-8-methoxy-5,6-dihydro-4H-benzo[1,2]cyc (CAS 71007-77-7), with molecular formula C19H16N4O6 and molecular weight 396.11 g/mol. IUPAC: 3-(2,4-dinitrophenyl)-12-methoxy-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-13-ol.
Chemical Property Profile of 1-(2,4-dinitrophenyl)-8-methoxy-5,6-dihydro-4H-benzo[1,2]cyc
Property Insights of 1-(2,4-dinitrophenyl)-8-methoxy-5,6-dihydro-4H-benzo[1,2]cyc
The XLogP value of 3.7 indicates that 1-(2,4-dinitrophenyl)-8-methoxy-5,6-dihydro-4H-benzo[1,2]cyc is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,4-dinitrophenyl)-8-methoxy-5,6-dihydro-4H-benzo[1,2]cyc. Following Lipinski's Rule of Five, 1-(2,4-dinitrophenyl)-8-methoxy-5,6-dihydro-4H-benzo[1,2]cyc has 1 hydrogen bond donor(s) and 7 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 1-(2,4-dinitrophenyl)-8-methoxy-5,6-dihydro-4H-benzo[1,2]cyc?
The CAS number of 1-(2,4-dinitrophenyl)-8-methoxy-5,6-dihydro-4H-benzo[1,2]cyc is 71007-77-7.
What is the molecular formula of 1-(2,4-dinitrophenyl)-8-methoxy-5,6-dihydro-4H-benzo[1,2]cyc?
The molecular formula of 1-(2,4-dinitrophenyl)-8-methoxy-5,6-dihydro-4H-benzo[1,2]cyc is C19H16N4O6.
What is the molecular weight of 1-(2,4-dinitrophenyl)-8-methoxy-5,6-dihydro-4H-benzo[1,2]cyc?
The molecular weight of 1-(2,4-dinitrophenyl)-8-methoxy-5,6-dihydro-4H-benzo[1,2]cyc is 396.11 g/mol.
Where can I buy 1-(2,4-dinitrophenyl)-8-methoxy-5,6-dihydro-4H-benzo[1,2]cyc?
You can request a quote for 1-(2,4-dinitrophenyl)-8-methoxy-5,6-dihydro-4H-benzo[1,2]cyc directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,4-dinitrophenyl)-8-methoxy-5,6-dihydro-4H-benzo[1,2]cyc?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,4-dinitrophenyl)-8-methoxy-5,6-dihydro-4H-benzo[1,2]cyc and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.