Tert-butyl 2-methyl-2-nitropropionate
TL;DR: Tert-butyl 2-methyl-2-nitropropionate (CAS 99969-78-5) is a chemical compound with molecular formula C8H15NO4 and molecular weight 189.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-methyl-2-nitropropanoate
Also Known As: tert-butyl 2-methyl-2-nitropropanoate, TERT-BUTYL 2-METHYL-2-NITROPROPIONATE, Tert-butyl 2-methyl-2-nitro-propanoate, 659-788-5, RefChem:892638
| Molecular Formula | C8H15NO4 |
|---|---|
| Molecular Weight | 189.10 g/mol |
| LogP | 1.3834 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.10011 |
| Heavy Atoms | 13 |
| Complexity | 226.78876 |
Chemical Identifiers
| CAS Number | 99969-78-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C(C)(C)[N+](=O)[O-] |
Product Overview
Tert-butyl 2-methyl-2-nitropropionate (CAS 99969-78-5), with molecular formula C8H15NO4 and molecular weight 189.10 g/mol. IUPAC: tert-butyl 2-methyl-2-nitropropanoate.
Chemical Property Profile of Tert-butyl 2-methyl-2-nitropropionate
Property Insights of Tert-butyl 2-methyl-2-nitropropionate
The XLogP value of 1.3834 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl 2-methyl-2-nitropropionate. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Tert-butyl 2-methyl-2-nitropropionate. Following Lipinski's Rule of Five, Tert-butyl 2-methyl-2-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 Tert-butyl 2-methyl-2-nitropropionate?
The CAS number of Tert-butyl 2-methyl-2-nitropropionate is 99969-78-5.
What is the molecular formula of Tert-butyl 2-methyl-2-nitropropionate?
The molecular formula of Tert-butyl 2-methyl-2-nitropropionate is C8H15NO4.
What is the molecular weight of Tert-butyl 2-methyl-2-nitropropionate?
The molecular weight of Tert-butyl 2-methyl-2-nitropropionate is 189.10 g/mol.
Where can I buy Tert-butyl 2-methyl-2-nitropropionate?
You can request a quote for Tert-butyl 2-methyl-2-nitropropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl 2-methyl-2-nitropropionate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 2-methyl-2-nitropropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.