2,4,5,7-Tetranitrocarbazole
TL;DR: 2,4,5,7-Tetranitrocarbazole (CAS 28453-24-9) is a chemical compound with molecular formula C12H5N5O8 and molecular weight 347.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,5,7-tetranitro-9H-carbazole
Also Known As: 2,4,5,7-Tetranitrocarbazole, 2,4,5,7-tetranitro-9H-carbazole, 9H-Carbazole,tetranitro-(9ci), 9H-Carbazole,tetranitro- (9CI)
| Molecular Formula | C12H5N5O8 |
|---|---|
| Molecular Weight | 347.01 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 199.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 347.01382 |
| Heavy Atoms | 25 |
| Complexity | 555.0 |
Chemical Identifiers
| CAS Number | 28453-24-9 |
|---|---|
| SMILES | C1=C(C=C(C2=C1NC3=C2C(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | VSMSIASZXNTHEN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,5,7-Tetranitrocarbazole (CAS 28453-24-9), with molecular formula C12H5N5O8 and molecular weight 347.01 g/mol. IUPAC: 2,4,5,7-tetranitro-9H-carbazole.
Chemical Property Profile of 2,4,5,7-Tetranitrocarbazole
Property Insights of 2,4,5,7-Tetranitrocarbazole
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,5,7-Tetranitrocarbazole. The TPSA of 199.0 Ų indicates high polarity, suggesting 2,4,5,7-Tetranitrocarbazole may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4,5,7-Tetranitrocarbazole has 1 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 2,4,5,7-Tetranitrocarbazole?
The CAS number of 2,4,5,7-Tetranitrocarbazole is 28453-24-9.
What is the molecular formula of 2,4,5,7-Tetranitrocarbazole?
The molecular formula of 2,4,5,7-Tetranitrocarbazole is C12H5N5O8.
What is the molecular weight of 2,4,5,7-Tetranitrocarbazole?
The molecular weight of 2,4,5,7-Tetranitrocarbazole is 347.01 g/mol.
Where can I buy 2,4,5,7-Tetranitrocarbazole?
You can request a quote for 2,4,5,7-Tetranitrocarbazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,5,7-Tetranitrocarbazole?
Yes, KEHONG BIO provides custom synthesis services for 2,4,5,7-Tetranitrocarbazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.