3,6,8-Trinitroharman
TL;DR: 3,6,8-Trinitroharman (CAS 142741-10-4) is a chemical compound with molecular formula C12H7N5O6 and molecular weight 317.03964 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methyl-3,6,8-trinitro-9H-pyrido[3,4-b]indole
Also Known As: 3,6,8-Trinitroharman, 1-methyl-3,6,8-trinitro-9H-pyrido[3,4-b]indole, 9H-Pyrido[3,4-b]indole, 1-methyl-3,6,8-trinitro-, CCRIS 5227, LNN7QVA6KN
Technical Specifications
| Molecular Formula | C12H7N5O6 |
| Molecular Weight | 317.03964 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 166.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 317.03964 Da |
| Heavy Atoms | 23 |
| Complexity | 528.0 |
| SMILES | CC1=C2C(=CC(=N1)[N+](=O)[O-])C3=C(N2)C(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | WTOOLMIYJDUDKG-UHFFFAOYSA-N |
Chemical Property Profile of 3,6,8-Trinitroharman
Property Insights of 3,6,8-Trinitroharman
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,6,8-Trinitroharman. The TPSA of 166.0 Ų indicates high polarity, suggesting 3,6,8-Trinitroharman may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,6,8-Trinitroharman has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3,6,8-Trinitroharman?
The CAS number of 3,6,8-Trinitroharman is 142741-10-4.
What is the molecular formula of 3,6,8-Trinitroharman?
The molecular formula of 3,6,8-Trinitroharman is C12H7N5O6.
What is the molecular weight of 3,6,8-Trinitroharman?
The molecular weight of 3,6,8-Trinitroharman is 317.03964 g/mol.
Where can I buy 3,6,8-Trinitroharman?
You can request a quote for 3,6,8-Trinitroharman directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,6,8-Trinitroharman?
Yes, CoreyChem provides custom synthesis services for 3,6,8-Trinitroharman and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.