1,3,5-三叠氮-2,4,6-三硝基苯
TL;DR: 1,3,5-三叠氮-2,4,6-三硝基苯 (CAS 29306-57-8) is a chemical compound with molecular formula C6N12O6 and molecular weight 336.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,5-三叠氮-2,4,6-三硝基苯
1,3,5-triazido-2,4,6-trinitrobenzene
Also Known As: Tntazb, trinitrotriazidobenzene, TNTA, 1,3,5-TRIAZIDO-2,4,6-TRINITROBENZENE, Ex235
| Molecular Formula | C6N12O6 |
|---|---|
| Molecular Weight | 336.01 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 181.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.00638 |
| Heavy Atoms | 24 |
| Complexity | 573.0 |
Chemical Identifiers
| CAS Number | 29306-57-8 |
|---|---|
| SMILES | C1(=C(C(=C(C(=C1[N+](=O)[O-])N=[N+]=[N-])[N+](=O)[O-])N=[N+]=[N-])[N+](=O)[O-])N=[N+]=[N-] |
| InChIKey | LIPDUIOSIFXENT-UHFFFAOYSA-N |
Product Overview
1,3,5-三叠氮-2,4,6-三硝基苯 (CAS 29306-57-8), with molecular formula C6N12O6 and molecular weight 336.01 g/mol. IUPAC: 1,3,5-triazido-2,4,6-trinitrobenzene.
Chemical Property Profile of 1,3,5-三叠氮-2,4,6-三硝基苯
Property Insights of 1,3,5-三叠氮-2,4,6-三硝基苯
The XLogP value of 4.2 indicates that 1,3,5-三叠氮-2,4,6-三硝基苯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 181.0 Ų indicates high polarity, suggesting 1,3,5-三叠氮-2,4,6-三硝基苯 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3,5-三叠氮-2,4,6-三硝基苯 has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3,5-三叠氮-2,4,6-三硝基苯?
The CAS number of 1,3,5-三叠氮-2,4,6-三硝基苯 is 29306-57-8.
What is the molecular formula of 1,3,5-三叠氮-2,4,6-三硝基苯?
The molecular formula of 1,3,5-三叠氮-2,4,6-三硝基苯 is C6N12O6.
What is the molecular weight of 1,3,5-三叠氮-2,4,6-三硝基苯?
The molecular weight of 1,3,5-三叠氮-2,4,6-三硝基苯 is 336.01 g/mol.
Where can I buy 1,3,5-三叠氮-2,4,6-三硝基苯?
You can request a quote for 1,3,5-三叠氮-2,4,6-三硝基苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,5-三叠氮-2,4,6-三硝基苯?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5-三叠氮-2,4,6-三硝基苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.