4-(Nitrooxy)butanoic acid
TL;DR: 4-(Nitrooxy)butanoic acid (CAS 104963-54-4) is a chemical compound with molecular formula C4H7NO5 and molecular weight 149.03242 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-nitrooxybutanoic acid
Also Known As: 4-(Nitrooxy)butanoic acid, 4-nitrooxybutanoic Acid, J3.485.372J
Technical Specifications
| Molecular Formula | C4H7NO5 |
| Molecular Weight | 149.03242 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 149.03242 Da |
| Heavy Atoms | 10 |
| Complexity | 128.0 |
| SMILES | C(CC(=O)O)CO[N+](=O)[O-] |
| InChIKey | ZETOHPSSBWBMED-UHFFFAOYSA-N |
Chemical Property Profile of 4-(Nitrooxy)butanoic acid
Property Insights of 4-(Nitrooxy)butanoic acid
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Nitrooxy)butanoic acid. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Nitrooxy)butanoic acid. Following Lipinski's Rule of Five, 4-(Nitrooxy)butanoic acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(Nitrooxy)butanoic acid?
The CAS number of 4-(Nitrooxy)butanoic acid is 104963-54-4.
What is the molecular formula of 4-(Nitrooxy)butanoic acid?
The molecular formula of 4-(Nitrooxy)butanoic acid is C4H7NO5.
What is the molecular weight of 4-(Nitrooxy)butanoic acid?
The molecular weight of 4-(Nitrooxy)butanoic acid is 149.03242 g/mol.
Where can I buy 4-(Nitrooxy)butanoic acid?
You can request a quote for 4-(Nitrooxy)butanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(Nitrooxy)butanoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(Nitrooxy)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.