3-Nitropropanoate
TL;DR: 3-Nitropropanoate (CAS 7417-34-7) is a chemical compound with molecular formula C3H4NO4- and molecular weight 118.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitropropanoate
Also Known As: 3-Nitropropanoate, 3-Nitropropionate, Bovinocidin, 3-nitropropionic acid, 3-Nitropropanoic acid
| Molecular Formula | C3H4NO4- |
|---|---|
| Molecular Weight | 118.01 g/mol |
| LogP | -1.5969 |
| Topological Polar Surface Area | 83.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 118.01403 |
| Heavy Atoms | 8 |
| Complexity | 95.85105 |
Chemical Identifiers
| CAS Number | 7417-34-7 |
|---|---|
| SMILES | C(C[N+](=O)[O-])C(=O)[O-] |
Product Overview
3-Nitropropanoate (CAS 7417-34-7), with molecular formula C3H4NO4- and molecular weight 118.01 g/mol. IUPAC: 3-nitropropanoate.
Chemical Property Profile of 3-Nitropropanoate
Property Insights of 3-Nitropropanoate
The XLogP value of -1.5969 indicates that 3-Nitropropanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitropropanoate. Following Lipinski's Rule of Five, 3-Nitropropanoate has 0 hydrogen bond donor(s) and 4 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 3-Nitropropanoate?
The CAS number of 3-Nitropropanoate is 7417-34-7.
What is the molecular formula of 3-Nitropropanoate?
The molecular formula of 3-Nitropropanoate is C3H4NO4-.
What is the molecular weight of 3-Nitropropanoate?
The molecular weight of 3-Nitropropanoate is 118.01 g/mol.
Where can I buy 3-Nitropropanoate?
You can request a quote for 3-Nitropropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitropropanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.