N-(2,4,6-三硝基苯基)咔唑-9-胺
TL;DR: N-(2,4,6-三硝基苯基)咔唑-9-胺 (CAS 21046-05-9) is a chemical compound with molecular formula C18H11N5O6 and molecular weight 393.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,4,6-三硝基苯基)咔唑-9-胺
N-(2,4,6-trinitrophenyl)carbazol-9-amine
Also Known As: 9-amino-N-picrylcarbazole, NCIOpen2_009535, N-(2,4,6-trinitrophenyl)carbazol-9-amine, Carbazole,4,6-trinitroanilino)-, 9-(2,4,6-trinitroanilino)carbazole
| Molecular Formula | C18H11N5O6 |
|---|---|
| Molecular Weight | 393.07 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 393.07092 |
| Heavy Atoms | 29 |
| Complexity | 615.0 |
Chemical Identifiers
| CAS Number | 21046-05-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=CC=CC=C3N2NC4=C(C=C(C=C4[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | FRLJBDXFYGRMJG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2,4,6-三硝基苯基)咔唑-9-胺 (CAS 21046-05-9), with molecular formula C18H11N5O6 and molecular weight 393.07 g/mol. IUPAC: N-(2,4,6-trinitrophenyl)carbazol-9-amine.
Chemical Property Profile of N-(2,4,6-三硝基苯基)咔唑-9-胺
Property Insights of N-(2,4,6-三硝基苯基)咔唑-9-胺
The XLogP value of 5.4 indicates that N-(2,4,6-三硝基苯基)咔唑-9-胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 154.0 Ų indicates high polarity, suggesting N-(2,4,6-三硝基苯基)咔唑-9-胺 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(2,4,6-三硝基苯基)咔唑-9-胺 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(2,4,6-三硝基苯基)咔唑-9-胺?
The CAS number of N-(2,4,6-三硝基苯基)咔唑-9-胺 is 21046-05-9.
What is the molecular formula of N-(2,4,6-三硝基苯基)咔唑-9-胺?
The molecular formula of N-(2,4,6-三硝基苯基)咔唑-9-胺 is C18H11N5O6.
What is the molecular weight of N-(2,4,6-三硝基苯基)咔唑-9-胺?
The molecular weight of N-(2,4,6-三硝基苯基)咔唑-9-胺 is 393.07 g/mol.
Where can I buy N-(2,4,6-三硝基苯基)咔唑-9-胺?
You can request a quote for N-(2,4,6-三硝基苯基)咔唑-9-胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,4,6-三硝基苯基)咔唑-9-胺?
Yes, KEHONG BIO provides custom synthesis services for N-(2,4,6-三硝基苯基)咔唑-9-胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.