Ethyl 4-methyl-4-nitropentanoate
TL;DR: Ethyl 4-methyl-4-nitropentanoate (CAS 23102-02-5) 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.
ethyl 4-methyl-4-nitropentanoate
Also Known As: ethyl 4-methyl-4-nitropentanoate, Ethyl 4-methyl-4-nitro-pentanoate, 4-Methyl-4-nitropentanoic acid ethyl ester, 4-methyl-4-nitro-pentanoic acid ethyl ester, J1.156.076H
| Molecular Formula | C8H15NO4 |
|---|---|
| Molecular Weight | 189.10 g/mol |
| LogP | 1.385 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 189.10011 |
| Heavy Atoms | 13 |
| Complexity | 200.32071 |
Chemical Identifiers
| CAS Number | 23102-02-5 |
|---|---|
| SMILES | CCOC(=O)CCC(C)(C)[N+](=O)[O-] |
Product Overview
Ethyl 4-methyl-4-nitropentanoate (CAS 23102-02-5), with molecular formula C8H15NO4 and molecular weight 189.10 g/mol. IUPAC: ethyl 4-methyl-4-nitropentanoate.
Chemical Property Profile of Ethyl 4-methyl-4-nitropentanoate
Property Insights of Ethyl 4-methyl-4-nitropentanoate
The XLogP value of 1.385 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-methyl-4-nitropentanoate. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-methyl-4-nitropentanoate. Following Lipinski's Rule of Five, Ethyl 4-methyl-4-nitropentanoate 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 4-methyl-4-nitropentanoate?
The CAS number of Ethyl 4-methyl-4-nitropentanoate is 23102-02-5.
What is the molecular formula of Ethyl 4-methyl-4-nitropentanoate?
The molecular formula of Ethyl 4-methyl-4-nitropentanoate is C8H15NO4.
What is the molecular weight of Ethyl 4-methyl-4-nitropentanoate?
The molecular weight of Ethyl 4-methyl-4-nitropentanoate is 189.10 g/mol.
Where can I buy Ethyl 4-methyl-4-nitropentanoate?
You can request a quote for Ethyl 4-methyl-4-nitropentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-methyl-4-nitropentanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-methyl-4-nitropentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.