1,3-二氨基-2,4,6-三硝基苯
TL;DR: 1,3-二氨基-2,4,6-三硝基苯 (CAS 1630-08-6) is a chemical compound with molecular formula C6H5N5O6 and molecular weight 243.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-二氨基-2,4,6-三硝基苯
2,4,6-trinitrobenzene-1,3-diamine
Also Known As: DATB, 2,4,6-Trinitrobenzene-1,3-diamine, 1,3-Benzenediamine, 2,4,6-trinitro-, 1,3-Diamino-2,4,6-trinitrobenzene, Diaminotrinitrobenzene
| Molecular Formula | C6H5N5O6 |
|---|---|
| Molecular Weight | 243.02 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 190.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 243.02399 |
| Heavy Atoms | 17 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 1630-08-6 |
|---|---|
| SMILES | C1=C(C(=C(C(=C1[N+](=O)[O-])N)[N+](=O)[O-])N)[N+](=O)[O-] |
| InChIKey | FZAZPMLWYUKRAE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-二氨基-2,4,6-三硝基苯 (CAS 1630-08-6), with molecular formula C6H5N5O6 and molecular weight 243.02 g/mol. IUPAC: 2,4,6-trinitrobenzene-1,3-diamine.
Chemical Property Profile of 1,3-二氨基-2,4,6-三硝基苯
Property Insights of 1,3-二氨基-2,4,6-三硝基苯
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-二氨基-2,4,6-三硝基苯. The TPSA of 190.0 Ų indicates high polarity, suggesting 1,3-二氨基-2,4,6-三硝基苯 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3-二氨基-2,4,6-三硝基苯 has 2 hydrogen bond donor(s) and 8 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 1,3-二氨基-2,4,6-三硝基苯?
The CAS number of 1,3-二氨基-2,4,6-三硝基苯 is 1630-08-6.
What is the molecular formula of 1,3-二氨基-2,4,6-三硝基苯?
The molecular formula of 1,3-二氨基-2,4,6-三硝基苯 is C6H5N5O6.
What is the molecular weight of 1,3-二氨基-2,4,6-三硝基苯?
The molecular weight of 1,3-二氨基-2,4,6-三硝基苯 is 243.02 g/mol.
Where can I buy 1,3-二氨基-2,4,6-三硝基苯?
You can request a quote for 1,3-二氨基-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 1,3-二氨基-2,4,6-三硝基苯?
Yes, KEHONG BIO provides custom synthesis services for 1,3-二氨基-2,4,6-三硝基苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.