六硝基茋
TL;DR: 六硝基茋 (CAS 19138-90-0) is a chemical compound with molecular formula C14H6N6O12 and molecular weight 450.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
六硝基茋
1,3,5-trinitro-2-[2-(2,4,6-trinitrophenyl)ethenyl]benzene
Also Known As: HEXANITROSTILBENE, JD-X, Ex003, 2,2',4,4',6,6'-Hexanitrostilbene, Hexanitro-1,2-diphenylethylene
| Molecular Formula | C14H6N6O12 |
|---|---|
| Molecular Weight | 450.00 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 275.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 2 |
| Exact Mass | 450.00436 |
| Heavy Atoms | 32 |
| Complexity | 714.0 |
Chemical Identifiers
| CAS Number | 19138-90-0 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])C=CC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | YSIBQULRFXITSW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
六硝基茋 (CAS 19138-90-0), with molecular formula C14H6N6O12 and molecular weight 450.00 g/mol. IUPAC: 1,3,5-trinitro-2-[2-(2,4,6-trinitrophenyl)ethenyl]benzene.
Chemical Property Profile of 六硝基茋
Property Insights of 六硝基茋
The XLogP value of 3.2 indicates that 六硝基茋 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 275.0 Ų indicates high polarity, suggesting 六硝基茋 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 六硝基茋 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 六硝基茋?
The CAS number of 六硝基茋 is 19138-90-0.
What is the molecular formula of 六硝基茋?
The molecular formula of 六硝基茋 is C14H6N6O12.
What is the molecular weight of 六硝基茋?
The molecular weight of 六硝基茋 is 450.00 g/mol.
Where can I buy 六硝基茋?
You can request a quote for 六硝基茋 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 六硝基茋?
Yes, KEHONG BIO provides custom synthesis services for 六硝基茋 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.