Methyl 5-(2-nitroimidazol-1-yl)pentanoate
TL;DR: Methyl 5-(2-nitroimidazol-1-yl)pentanoate (CAS 22809-31-0) is a chemical compound with molecular formula C9H13N3O4 and molecular weight 227.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(2-nitroimidazol-1-yl)pentanoate
Also Known As: Methyl 5-(2-nitroimidazol-1-yl)pentanoate, methyl 5-(2-nitro-1H-imidazolyl)pentanoate
| Molecular Formula | C9H13N3O4 |
|---|---|
| Molecular Weight | 227.09 g/mol |
| LogP | 1.1346 |
| Topological Polar Surface Area | 87.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 227.0906 |
| Heavy Atoms | 16 |
| Complexity | 374.58594 |
Chemical Identifiers
| CAS Number | 22809-31-0 |
|---|---|
| SMILES | COC(=O)CCCCN1C=CN=C1[N+](=O)[O-] |
Product Overview
Methyl 5-(2-nitroimidazol-1-yl)pentanoate (CAS 22809-31-0), with molecular formula C9H13N3O4 and molecular weight 227.09 g/mol. IUPAC: methyl 5-(2-nitroimidazol-1-yl)pentanoate.
Chemical Property Profile of Methyl 5-(2-nitroimidazol-1-yl)pentanoate
Property Insights of Methyl 5-(2-nitroimidazol-1-yl)pentanoate
The XLogP value of 1.1346 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-(2-nitroimidazol-1-yl)pentanoate. The TPSA of 87.26 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-(2-nitroimidazol-1-yl)pentanoate. Following Lipinski's Rule of Five, Methyl 5-(2-nitroimidazol-1-yl)pentanoate has 0 hydrogen bond donor(s) and 5 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 Methyl 5-(2-nitroimidazol-1-yl)pentanoate?
The CAS number of Methyl 5-(2-nitroimidazol-1-yl)pentanoate is 22809-31-0.
What is the molecular formula of Methyl 5-(2-nitroimidazol-1-yl)pentanoate?
The molecular formula of Methyl 5-(2-nitroimidazol-1-yl)pentanoate is C9H13N3O4.
What is the molecular weight of Methyl 5-(2-nitroimidazol-1-yl)pentanoate?
The molecular weight of Methyl 5-(2-nitroimidazol-1-yl)pentanoate is 227.09 g/mol.
Where can I buy Methyl 5-(2-nitroimidazol-1-yl)pentanoate?
You can request a quote for Methyl 5-(2-nitroimidazol-1-yl)pentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-(2-nitroimidazol-1-yl)pentanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-(2-nitroimidazol-1-yl)pentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.