三氨基三硝基苯
TL;DR: 三氨基三硝基苯 (CAS 3058-38-6) is a chemical compound with molecular formula C6H6N6O6 and molecular weight 258.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三氨基三硝基苯
2,4,6-trinitrobenzene-1,3,5-triamine
Also Known As: s-Triaminotrinitrobenzene, TATB, sym-Triaminotrinitrobenzene, TATB cpd, 1,3,5-Triamino-2,4,6-trinitrobenzene
| Molecular Formula | C6H6N6O6 |
|---|---|
| Molecular Weight | 258.03 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 216.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 0 |
| Exact Mass | 258.03488 |
| Heavy Atoms | 18 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 3058-38-6 |
|---|---|
| SMILES | C1(=C(C(=C(C(=C1[N+](=O)[O-])N)[N+](=O)[O-])N)[N+](=O)[O-])N |
| InChIKey | JDFUJAMTCCQARF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
三氨基三硝基苯 (CAS 3058-38-6), with molecular formula C6H6N6O6 and molecular weight 258.03 g/mol. IUPAC: 2,4,6-trinitrobenzene-1,3,5-triamine.
Chemical Property Profile of 三氨基三硝基苯
Property Insights of 三氨基三硝基苯
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 三氨基三硝基苯. The TPSA of 216.0 Ų indicates high polarity, suggesting 三氨基三硝基苯 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 三氨基三硝基苯 has 3 hydrogen bond donor(s) and 9 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 三氨基三硝基苯?
The CAS number of 三氨基三硝基苯 is 3058-38-6.
What is the molecular formula of 三氨基三硝基苯?
The molecular formula of 三氨基三硝基苯 is C6H6N6O6.
What is the molecular weight of 三氨基三硝基苯?
The molecular weight of 三氨基三硝基苯 is 258.03 g/mol.
Where can I buy 三氨基三硝基苯?
You can request a quote for 三氨基三硝基苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三氨基三硝基苯?
Yes, KEHONG BIO provides custom synthesis services for 三氨基三硝基苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.