2-Methyl-2-nitropropyl prop-2-enoate
TL;DR: 2-Methyl-2-nitropropyl prop-2-enoate (CAS 7460-71-1) is a chemical compound with molecular formula C7H11NO4 and molecular weight 173.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methyl-2-nitropropyl) prop-2-enoate
Also Known As: (2-methyl-2-nitropropyl) prop-2-enoate, 2-Methyl-2-nitropropyl prop-2-enoate, (2-methyl-2-nitro-propyl) prop-2-enoate, Acrylic acid 2-methyl-2-nitropropyl ester
| Molecular Formula | C7H11NO4 |
|---|---|
| Molecular Weight | 173.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 173.0688 |
| Heavy Atoms | 12 |
| Complexity | 204.0 |
Chemical Identifiers
| CAS Number | 7460-71-1 |
|---|---|
| SMILES | CC(C)(COC(=O)C=C)[N+](=O)[O-] |
| InChIKey | FDPPXZRLXIPXJB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-2-nitropropyl prop-2-enoate (CAS 7460-71-1), with molecular formula C7H11NO4 and molecular weight 173.07 g/mol. IUPAC: (2-methyl-2-nitropropyl) prop-2-enoate.
Chemical Property Profile of 2-Methyl-2-nitropropyl prop-2-enoate
Property Insights of 2-Methyl-2-nitropropyl prop-2-enoate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-2-nitropropyl prop-2-enoate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-2-nitropropyl prop-2-enoate. Following Lipinski's Rule of Five, 2-Methyl-2-nitropropyl prop-2-enoate 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 2-Methyl-2-nitropropyl prop-2-enoate?
The CAS number of 2-Methyl-2-nitropropyl prop-2-enoate is 7460-71-1.
What is the molecular formula of 2-Methyl-2-nitropropyl prop-2-enoate?
The molecular formula of 2-Methyl-2-nitropropyl prop-2-enoate is C7H11NO4.
What is the molecular weight of 2-Methyl-2-nitropropyl prop-2-enoate?
The molecular weight of 2-Methyl-2-nitropropyl prop-2-enoate is 173.07 g/mol.
Where can I buy 2-Methyl-2-nitropropyl prop-2-enoate?
You can request a quote for 2-Methyl-2-nitropropyl prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-2-nitropropyl prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-2-nitropropyl prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.