3-硝基丙酸
TL;DR: 3-硝基丙酸 (CAS 504-88-1) is a chemical compound with molecular formula C3H5NO4 and molecular weight 119.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-硝基丙酸
3-nitropropanoic acid
Also Known As: 3-nitropropionic acid, 3-Nitropropanoic acid, Bovinocidin, Hiptagenic acid, beta-Nitropropionic acid
| Molecular Formula | C3H5NO4 |
|---|---|
| Molecular Weight | 119.02 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 119.02186 |
| Heavy Atoms | 8 |
| Complexity | 104.0 |
| Melting Point | 145 to 65.0 °C |
| Solubility | greater than or equal to 100 mg/mL at 68 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 504-88-1 |
|---|---|
| SMILES | C(C[N+](=O)[O-])C(=O)O |
| InChIKey | WBLZUCOIBUDNBV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-硝基丙酸 (CAS 504-88-1), with molecular formula C3H5NO4 and molecular weight 119.02 g/mol. IUPAC: 3-nitropropanoic acid.
Chemical Property Profile of 3-硝基丙酸
Property Insights of 3-硝基丙酸
The XLogP value of -0.5 indicates that 3-硝基丙酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-硝基丙酸. Following Lipinski's Rule of Five, 3-硝基丙酸 has 1 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-硝基丙酸?
The CAS number of 3-硝基丙酸 is 504-88-1.
What is the molecular formula of 3-硝基丙酸?
The molecular formula of 3-硝基丙酸 is C3H5NO4.
What is the molecular weight of 3-硝基丙酸?
The molecular weight of 3-硝基丙酸 is 119.02 g/mol.
Where can I buy 3-硝基丙酸?
You can request a quote for 3-硝基丙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-硝基丙酸?
Yes, KEHONG BIO provides custom synthesis services for 3-硝基丙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.