1,1,7-Trimethyl-6,8-dinitro-1,2,3,4-tetrahydronaphthalene
TL;DR: 1,1,7-Trimethyl-6,8-dinitro-1,2,3,4-tetrahydronaphthalene (CAS 92109-16-5) is a chemical compound with molecular formula C13H16N2O4 and molecular weight 264.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,6-trimethyl-5,7-dinitro-2,3-dihydro-1H-naphthalene
Also Known As: 1,1,7-trimethyl-6,8-dinitro-1,2,3,4-tetrahydronaphthalene, 4,4,6-trimethyl-5,7-dinitro-2,3-dihydro-1H-naphthalene
| Molecular Formula | C13H16N2O4 |
|---|---|
| Molecular Weight | 264.11 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 264.111 |
| Heavy Atoms | 19 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 92109-16-5 |
|---|---|
| SMILES | CC1=C(C=C2CCCC(C2=C1[N+](=O)[O-])(C)C)[N+](=O)[O-] |
| InChIKey | IMVUDWIUQYINHS-UHFFFAOYSA-N |
Product Overview
1,1,7-Trimethyl-6,8-dinitro-1,2,3,4-tetrahydronaphthalene (CAS 92109-16-5), with molecular formula C13H16N2O4 and molecular weight 264.11 g/mol. IUPAC: 4,4,6-trimethyl-5,7-dinitro-2,3-dihydro-1H-naphthalene.
Chemical Property Profile of 1,1,7-Trimethyl-6,8-dinitro-1,2,3,4-tetrahydronaphthalene
Property Insights of 1,1,7-Trimethyl-6,8-dinitro-1,2,3,4-tetrahydronaphthalene
The XLogP value of 4.2 indicates that 1,1,7-Trimethyl-6,8-dinitro-1,2,3,4-tetrahydronaphthalene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1,7-Trimethyl-6,8-dinitro-1,2,3,4-tetrahydronaphthalene. Following Lipinski's Rule of Five, 1,1,7-Trimethyl-6,8-dinitro-1,2,3,4-tetrahydronaphthalene 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 1,1,7-Trimethyl-6,8-dinitro-1,2,3,4-tetrahydronaphthalene?
The CAS number of 1,1,7-Trimethyl-6,8-dinitro-1,2,3,4-tetrahydronaphthalene is 92109-16-5.
What is the molecular formula of 1,1,7-Trimethyl-6,8-dinitro-1,2,3,4-tetrahydronaphthalene?
The molecular formula of 1,1,7-Trimethyl-6,8-dinitro-1,2,3,4-tetrahydronaphthalene is C13H16N2O4.
What is the molecular weight of 1,1,7-Trimethyl-6,8-dinitro-1,2,3,4-tetrahydronaphthalene?
The molecular weight of 1,1,7-Trimethyl-6,8-dinitro-1,2,3,4-tetrahydronaphthalene is 264.11 g/mol.
Where can I buy 1,1,7-Trimethyl-6,8-dinitro-1,2,3,4-tetrahydronaphthalene?
You can request a quote for 1,1,7-Trimethyl-6,8-dinitro-1,2,3,4-tetrahydronaphthalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,7-Trimethyl-6,8-dinitro-1,2,3,4-tetrahydronaphthalene?
Yes, KEHONG BIO provides custom synthesis services for 1,1,7-Trimethyl-6,8-dinitro-1,2,3,4-tetrahydronaphthalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.