Methyl 2-nitropropanoate
TL;DR: Methyl 2-nitropropanoate (CAS 6118-50-9) is a chemical compound with molecular formula C4H7NO4 and molecular weight 133.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-nitropropanoate
Also Known As: Methyl 2-nitropropanoate, methyl 2-nitro-propionate, 2-Nitropropanoic acid methyl ester, Methyl2-nitropropanoate, Methyl 2-nitropropionate
| Molecular Formula | C4H7NO4 |
|---|---|
| Molecular Weight | 133.04 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 133.0375 |
| Heavy Atoms | 9 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 6118-50-9 |
|---|---|
| SMILES | CC(C(=O)OC)[N+](=O)[O-] |
| InChIKey | UHXOPEVCNMQIAA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-nitropropanoate (CAS 6118-50-9), with molecular formula C4H7NO4 and molecular weight 133.04 g/mol. IUPAC: methyl 2-nitropropanoate.
Chemical Property Profile of Methyl 2-nitropropanoate
Property Insights of Methyl 2-nitropropanoate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-nitropropanoate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-nitropropanoate. Following Lipinski's Rule of Five, Methyl 2-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 Methyl 2-nitropropanoate?
The CAS number of Methyl 2-nitropropanoate is 6118-50-9.
What is the molecular formula of Methyl 2-nitropropanoate?
The molecular formula of Methyl 2-nitropropanoate is C4H7NO4.
What is the molecular weight of Methyl 2-nitropropanoate?
The molecular weight of Methyl 2-nitropropanoate is 133.04 g/mol.
Where can I buy Methyl 2-nitropropanoate?
You can request a quote for Methyl 2-nitropropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-nitropropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-nitropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.