Methyl 3-(methylamino)-2-nitroprop-2-enoate
TL;DR: Methyl 3-(methylamino)-2-nitroprop-2-enoate (CAS 7238-59-7) is a chemical compound with molecular formula C5H8N2O4 and molecular weight 160.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(methylamino)-2-nitroprop-2-enoate
Also Known As: 2(5H)-Thiophenone, 5-(2-propenyl)-, methyl 3-(methylamino)-2-nitroprop-2-enoate, Methyl 3-methylamino-2-nitro-prop-2-enoate
| Molecular Formula | C5H8N2O4 |
|---|---|
| Molecular Weight | 160.05 g/mol |
| LogP | -0.5031 |
| Topological Polar Surface Area | 81.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 160.0484 |
| Heavy Atoms | 11 |
| Complexity | 198.6591 |
Chemical Identifiers
| CAS Number | 7238-59-7 |
|---|---|
| SMILES | CNC=C(C(=O)OC)[N+](=O)[O-] |
Product Overview
Methyl 3-(methylamino)-2-nitroprop-2-enoate (CAS 7238-59-7), with molecular formula C5H8N2O4 and molecular weight 160.05 g/mol. IUPAC: methyl 3-(methylamino)-2-nitroprop-2-enoate.
Chemical Property Profile of Methyl 3-(methylamino)-2-nitroprop-2-enoate
Property Insights of Methyl 3-(methylamino)-2-nitroprop-2-enoate
The XLogP value of -0.5031 indicates that Methyl 3-(methylamino)-2-nitroprop-2-enoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 81.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(methylamino)-2-nitroprop-2-enoate. Following Lipinski's Rule of Five, Methyl 3-(methylamino)-2-nitroprop-2-enoate 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
Frequently Asked Questions
What is the CAS number of Methyl 3-(methylamino)-2-nitroprop-2-enoate?
The CAS number of Methyl 3-(methylamino)-2-nitroprop-2-enoate is 7238-59-7.
What is the molecular formula of Methyl 3-(methylamino)-2-nitroprop-2-enoate?
The molecular formula of Methyl 3-(methylamino)-2-nitroprop-2-enoate is C5H8N2O4.
What is the molecular weight of Methyl 3-(methylamino)-2-nitroprop-2-enoate?
The molecular weight of Methyl 3-(methylamino)-2-nitroprop-2-enoate is 160.05 g/mol.
Where can I buy Methyl 3-(methylamino)-2-nitroprop-2-enoate?
You can request a quote for Methyl 3-(methylamino)-2-nitroprop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(methylamino)-2-nitroprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(methylamino)-2-nitroprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.