2,7-Dimethylnaphthalene; 2,4,6-trinitrobenzene-1,3-diol
TL;DR: 2,7-Dimethylnaphthalene; 2,4,6-trinitrobenzene-1,3-diol (CAS 7509-98-0) is a chemical compound with molecular formula C18H15N3O8 and molecular weight 401.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,7-dimethylnaphthalene;2,4,6-trinitrobenzene-1,3-diol
Also Known As: 2,7-dimethylnaphthalene; 2,4,6-trinitrobenzene-1,3-diol, 2,7-dimethylnaphthalene,2,4,6-trinitrobenzene-1,3-diol, 2,7-dimethylnaphthalene, 2,4,6-trinitrobenzene-1,3-diol, 2,4,6-Trinitrobenzene-1,3-diol--2,7-dimethylnaphthalene (1/1)
| Molecular Formula | C18H15N3O8 |
|---|---|
| Molecular Weight | 401.09 g/mol |
| LogP | 4.27904 |
| Topological Polar Surface Area | 178.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 401.0859 |
| Heavy Atoms | 29 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 7509-98-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C=CC(=C2)C.C1=C(C(=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])O)[N+](=O)[O-] |
| InChIKey | FSJWEYWFUCZIMB-UHFFFAOYSA-N |
Product Overview
2,7-Dimethylnaphthalene; 2,4,6-trinitrobenzene-1,3-diol (CAS 7509-98-0), with molecular formula C18H15N3O8 and molecular weight 401.09 g/mol. IUPAC: 2,7-dimethylnaphthalene;2,4,6-trinitrobenzene-1,3-diol.
Chemical Property Profile of 2,7-Dimethylnaphthalene; 2,4,6-trinitrobenzene-1,3-diol
Property Insights of 2,7-Dimethylnaphthalene; 2,4,6-trinitrobenzene-1,3-diol
The XLogP value of 4.27904 indicates that 2,7-Dimethylnaphthalene; 2,4,6-trinitrobenzene-1,3-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 178.0 Ų indicates high polarity, suggesting 2,7-Dimethylnaphthalene; 2,4,6-trinitrobenzene-1,3-diol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,7-Dimethylnaphthalene; 2,4,6-trinitrobenzene-1,3-diol has 2 hydrogen bond donor(s) and 8 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 2,7-Dimethylnaphthalene; 2,4,6-trinitrobenzene-1,3-diol?
The CAS number of 2,7-Dimethylnaphthalene; 2,4,6-trinitrobenzene-1,3-diol is 7509-98-0.
What is the molecular formula of 2,7-Dimethylnaphthalene; 2,4,6-trinitrobenzene-1,3-diol?
The molecular formula of 2,7-Dimethylnaphthalene; 2,4,6-trinitrobenzene-1,3-diol is C18H15N3O8.
What is the molecular weight of 2,7-Dimethylnaphthalene; 2,4,6-trinitrobenzene-1,3-diol?
The molecular weight of 2,7-Dimethylnaphthalene; 2,4,6-trinitrobenzene-1,3-diol is 401.09 g/mol.
Where can I buy 2,7-Dimethylnaphthalene; 2,4,6-trinitrobenzene-1,3-diol?
You can request a quote for 2,7-Dimethylnaphthalene; 2,4,6-trinitrobenzene-1,3-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,7-Dimethylnaphthalene; 2,4,6-trinitrobenzene-1,3-diol?
Yes, KEHONG BIO provides custom synthesis services for 2,7-Dimethylnaphthalene; 2,4,6-trinitrobenzene-1,3-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.