三硝基甲烷
TL;DR: 三硝基甲烷 (CAS 517-25-9) is a chemical compound with molecular formula CHN3O6 and molecular weight 150.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三硝基甲烷
trinitromethane
Also Known As: Trinitromethane, Methane, trinitro-, NITROFORM, nitro form, Methane, trinitro
| Molecular Formula | CHN3O6 |
|---|---|
| Molecular Weight | 150.99 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 150.98654 |
| Heavy Atoms | 10 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 517-25-9 |
|---|---|
| SMILES | C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | LZGVDNRJCGPNDS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
三硝基甲烷 (CAS 517-25-9), with molecular formula CHN3O6 and molecular weight 150.99 g/mol. IUPAC: trinitromethane.
Chemical Property Profile of 三硝基甲烷
Property Insights of 三硝基甲烷
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 三硝基甲烷. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 三硝基甲烷. Following Lipinski's Rule of Five, 三硝基甲烷 has 0 hydrogen bond donor(s) and 6 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 三硝基甲烷?
The CAS number of 三硝基甲烷 is 517-25-9.
What is the molecular formula of 三硝基甲烷?
The molecular formula of 三硝基甲烷 is CHN3O6.
What is the molecular weight of 三硝基甲烷?
The molecular weight of 三硝基甲烷 is 150.99 g/mol.
Where can I buy 三硝基甲烷?
You can request a quote for 三硝基甲烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三硝基甲烷?
Yes, KEHONG BIO provides custom synthesis services for 三硝基甲烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.