1,3,5-Tributoxy-2,4,6-trinitrobenzene
TL;DR: 1,3,5-Tributoxy-2,4,6-trinitrobenzene (CAS 68959-38-6) is a chemical compound with molecular formula C18H27N3O9 and molecular weight 429.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,5-tributoxy-2,4,6-trinitrobenzene
Also Known As: 1,3,5-Tributoxy-2,4,6-trinitrobenzene, Benzene, 1,3,5-tributoxy-2,4,6-trinitro-, 3-(3-Hydroxypropyl)-2-methylnaphtho(2,3-d)thiazolium bromide, Naphtho(2,3-d)thiazolium, 3-(3-hydroxypropyl)-2-methyl-, bromide, Naphtho[2,3-d]thiazolium, 3-(3-hydroxypropyl)-2-methyl-, bromide
| Molecular Formula | C18H27N3O9 |
|---|---|
| Molecular Weight | 429.17 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 165.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 429.17474 |
| Heavy Atoms | 30 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 68959-38-6 |
|---|---|
| SMILES | CCCCOC1=C(C(=C(C(=C1[N+](=O)[O-])OCCCC)[N+](=O)[O-])OCCCC)[N+](=O)[O-] |
| InChIKey | VUTBMMBSKVZGJH-UHFFFAOYSA-N |
Product Overview
1,3,5-Tributoxy-2,4,6-trinitrobenzene (CAS 68959-38-6), with molecular formula C18H27N3O9 and molecular weight 429.17 g/mol. IUPAC: 1,3,5-tributoxy-2,4,6-trinitrobenzene.
Chemical Property Profile of 1,3,5-Tributoxy-2,4,6-trinitrobenzene
Property Insights of 1,3,5-Tributoxy-2,4,6-trinitrobenzene
The XLogP value of 5.1 indicates that 1,3,5-Tributoxy-2,4,6-trinitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 165.0 Ų indicates high polarity, suggesting 1,3,5-Tributoxy-2,4,6-trinitrobenzene may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3,5-Tributoxy-2,4,6-trinitrobenzene has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3,5-Tributoxy-2,4,6-trinitrobenzene?
The CAS number of 1,3,5-Tributoxy-2,4,6-trinitrobenzene is 68959-38-6.
What is the molecular formula of 1,3,5-Tributoxy-2,4,6-trinitrobenzene?
The molecular formula of 1,3,5-Tributoxy-2,4,6-trinitrobenzene is C18H27N3O9.
What is the molecular weight of 1,3,5-Tributoxy-2,4,6-trinitrobenzene?
The molecular weight of 1,3,5-Tributoxy-2,4,6-trinitrobenzene is 429.17 g/mol.
Where can I buy 1,3,5-Tributoxy-2,4,6-trinitrobenzene?
You can request a quote for 1,3,5-Tributoxy-2,4,6-trinitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,5-Tributoxy-2,4,6-trinitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5-Tributoxy-2,4,6-trinitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.