Butanoic acid, 4,4,4-trinitro-, ethyl ester
TL;DR: Butanoic acid, 4,4,4-trinitro-, ethyl ester (CAS 15421-42-8) is a chemical compound with molecular formula C6H9N3O8 and molecular weight 251.03897 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4,4,4-trinitrobutanoate
Also Known As: Ethyl-4,4,4-trinitrobutyrate, ethyl 4,4,4-trinitrobutanoate, 4,4,4-Trinitrobutyric acid ethyl ester, BUTYRIC ACID, 4,4,4-TRINITRO-, ETHYL ESTER, Butanoic acid, 4,4,4-trinitro-, ethyl ester
Technical Specifications
| Molecular Formula | C6H9N3O8 |
| Molecular Weight | 251.03897 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 164.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 251.03897 Da |
| Heavy Atoms | 17 |
| Complexity | 301.0 |
| SMILES | CCOC(=O)CCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | FUAMTTZWZQPBFS-UHFFFAOYSA-N |
Chemical Property Profile of Butanoic acid, 4,4,4-trinitro-, ethyl ester
Property Insights of Butanoic acid, 4,4,4-trinitro-, ethyl ester
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanoic acid, 4,4,4-trinitro-, ethyl ester. The TPSA of 164.0 Ų indicates high polarity, suggesting Butanoic acid, 4,4,4-trinitro-, ethyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Butanoic acid, 4,4,4-trinitro-, ethyl ester has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Butanoic acid, 4,4,4-trinitro-, ethyl ester?
The CAS number of Butanoic acid, 4,4,4-trinitro-, ethyl ester is 15421-42-8.
What is the molecular formula of Butanoic acid, 4,4,4-trinitro-, ethyl ester?
The molecular formula of Butanoic acid, 4,4,4-trinitro-, ethyl ester is C6H9N3O8.
What is the molecular weight of Butanoic acid, 4,4,4-trinitro-, ethyl ester?
The molecular weight of Butanoic acid, 4,4,4-trinitro-, ethyl ester is 251.03897 g/mol.
Where can I buy Butanoic acid, 4,4,4-trinitro-, ethyl ester?
You can request a quote for Butanoic acid, 4,4,4-trinitro-, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butanoic acid, 4,4,4-trinitro-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for Butanoic acid, 4,4,4-trinitro-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.