Methyl 3,4-dimethyl-4-nitropentanoate
TL;DR: Methyl 3,4-dimethyl-4-nitropentanoate (CAS 16507-09-8) is a chemical compound with molecular formula C8H15NO4 and molecular weight 189.10011 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3,4-dimethyl-4-nitropentanoate
Also Known As: methyl 3,4-dimethyl-4-nitropentanoate, J2.404.152B, 3,4-Dimethyl-4-nitropentanoic acid methyl ester, Pentanoic acid,3,4-dimethyl-4-nitro-, methyl ester
Technical Specifications
| Molecular Formula | C8H15NO4 |
| Molecular Weight | 189.10011 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 189.10011 Da |
| Heavy Atoms | 13 |
| Complexity | 207.0 |
| SMILES | CC(CC(=O)OC)C(C)(C)[N+](=O)[O-] |
| InChIKey | ZUONLRZJDRNUIX-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 3,4-dimethyl-4-nitropentanoate
Property Insights of Methyl 3,4-dimethyl-4-nitropentanoate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3,4-dimethyl-4-nitropentanoate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3,4-dimethyl-4-nitropentanoate. Following Lipinski's Rule of Five, Methyl 3,4-dimethyl-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
What is the CAS number of Methyl 3,4-dimethyl-4-nitropentanoate?
The CAS number of Methyl 3,4-dimethyl-4-nitropentanoate is 16507-09-8.
What is the molecular formula of Methyl 3,4-dimethyl-4-nitropentanoate?
The molecular formula of Methyl 3,4-dimethyl-4-nitropentanoate is C8H15NO4.
What is the molecular weight of Methyl 3,4-dimethyl-4-nitropentanoate?
The molecular weight of Methyl 3,4-dimethyl-4-nitropentanoate is 189.10011 g/mol.
Where can I buy Methyl 3,4-dimethyl-4-nitropentanoate?
You can request a quote for Methyl 3,4-dimethyl-4-nitropentanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 3,4-dimethyl-4-nitropentanoate?
Yes, CoreyChem provides custom synthesis services for Methyl 3,4-dimethyl-4-nitropentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.