Ethyl 2,2-dimethyl-3-nitropropionate
TL;DR: Ethyl 2,2-dimethyl-3-nitropropionate (CAS 76173-44-9) is a chemical compound with molecular formula C7H13NO4 and molecular weight 175.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,2-dimethyl-3-nitropropanoate
Also Known As: ethyl 2,2-dimethyl-3-nitropropanoate, ethyl2,2-dimethyl-3-nitropropanoate, Ethyl 2,2-dimethyl-3-nitropropionate, Ethyl 2,2-dimethyl-3-nitro-propanoate, J3.299.129G
| Molecular Formula | C7H13NO4 |
|---|---|
| Molecular Weight | 175.08 g/mol |
| LogP | 0.8524 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 175.08446 |
| Heavy Atoms | 12 |
| Complexity | 187.8454 |
Chemical Identifiers
| CAS Number | 76173-44-9 |
|---|---|
| SMILES | CCOC(=O)C(C)(C)C[N+](=O)[O-] |
Product Overview
Ethyl 2,2-dimethyl-3-nitropropionate (CAS 76173-44-9), with molecular formula C7H13NO4 and molecular weight 175.08 g/mol. IUPAC: ethyl 2,2-dimethyl-3-nitropropanoate.
Chemical Property Profile of Ethyl 2,2-dimethyl-3-nitropropionate
Property Insights of Ethyl 2,2-dimethyl-3-nitropropionate
The XLogP value of 0.8524 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2,2-dimethyl-3-nitropropionate. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2,2-dimethyl-3-nitropropionate. Following Lipinski's Rule of Five, Ethyl 2,2-dimethyl-3-nitropropionate 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 Ethyl 2,2-dimethyl-3-nitropropionate?
The CAS number of Ethyl 2,2-dimethyl-3-nitropropionate is 76173-44-9.
What is the molecular formula of Ethyl 2,2-dimethyl-3-nitropropionate?
The molecular formula of Ethyl 2,2-dimethyl-3-nitropropionate is C7H13NO4.
What is the molecular weight of Ethyl 2,2-dimethyl-3-nitropropionate?
The molecular weight of Ethyl 2,2-dimethyl-3-nitropropionate is 175.08 g/mol.
Where can I buy Ethyl 2,2-dimethyl-3-nitropropionate?
You can request a quote for Ethyl 2,2-dimethyl-3-nitropropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2,2-dimethyl-3-nitropropionate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,2-dimethyl-3-nitropropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.