2,3-Dimethylnaphthalene--1,3,5-trinitrobenzene (1/1)
TL;DR: 2,3-Dimethylnaphthalene--1,3,5-trinitrobenzene (1/1) (CAS 7495-08-1) is a chemical compound with molecular formula C18H15N3O6 and molecular weight 369.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dimethylnaphthalene;1,3,5-trinitrobenzene
Also Known As: 2,3-dimethylnaphthalene; 1,3,5-trinitrobenzene, 2,3-Dimethylnaphthalene--1,3,5-trinitrobenzene (1/1)
| Molecular Formula | C18H15N3O6 |
|---|---|
| Molecular Weight | 369.10 g/mol |
| LogP | 4.86784 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 369.0961 |
| Heavy Atoms | 27 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 7495-08-1 |
|---|---|
| SMILES | CC1=CC2=CC=CC=C2C=C1C.C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | ZEWYCDXZWWHROI-UHFFFAOYSA-N |
Product Overview
2,3-Dimethylnaphthalene--1,3,5-trinitrobenzene (1/1) (CAS 7495-08-1), with molecular formula C18H15N3O6 and molecular weight 369.10 g/mol. IUPAC: 2,3-dimethylnaphthalene;1,3,5-trinitrobenzene.
Chemical Property Profile of 2,3-Dimethylnaphthalene--1,3,5-trinitrobenzene (1/1)
Property Insights of 2,3-Dimethylnaphthalene--1,3,5-trinitrobenzene (1/1)
The XLogP value of 4.86784 indicates that 2,3-Dimethylnaphthalene--1,3,5-trinitrobenzene (1/1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Dimethylnaphthalene--1,3,5-trinitrobenzene (1/1). Following Lipinski's Rule of Five, 2,3-Dimethylnaphthalene--1,3,5-trinitrobenzene (1/1) has 0 hydrogen bond donor(s) and 6 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 2,3-Dimethylnaphthalene--1,3,5-trinitrobenzene (1/1)?
The CAS number of 2,3-Dimethylnaphthalene--1,3,5-trinitrobenzene (1/1) is 7495-08-1.
What is the molecular formula of 2,3-Dimethylnaphthalene--1,3,5-trinitrobenzene (1/1)?
The molecular formula of 2,3-Dimethylnaphthalene--1,3,5-trinitrobenzene (1/1) is C18H15N3O6.
What is the molecular weight of 2,3-Dimethylnaphthalene--1,3,5-trinitrobenzene (1/1)?
The molecular weight of 2,3-Dimethylnaphthalene--1,3,5-trinitrobenzene (1/1) is 369.10 g/mol.
Where can I buy 2,3-Dimethylnaphthalene--1,3,5-trinitrobenzene (1/1)?
You can request a quote for 2,3-Dimethylnaphthalene--1,3,5-trinitrobenzene (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dimethylnaphthalene--1,3,5-trinitrobenzene (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dimethylnaphthalene--1,3,5-trinitrobenzene (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.