1-(3-methyl-2-nitroimidazol-4-yl)-N-pyrrolidin-1-ylmethanimine
TL;DR: 1-(3-methyl-2-nitroimidazol-4-yl)-N-pyrrolidin-1-ylmethanimine (CAS 63551-43-9) is a chemical compound with molecular formula C9H13N5O2 and molecular weight 223.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-methyl-2-nitroimidazol-4-yl)-N-pyrrolidin-1-ylmethanimine
Also Known As: (E)-1-(3-methyl-2-nitroimidazol-4-yl)-N-pyrrolidin-1-ylmetha, 1-(3-methyl-2-nitroimidazol-4-yl)-N-pyrrolidin-1-ylmethanimine
| Molecular Formula | C9H13N5O2 |
|---|---|
| Molecular Weight | 223.11 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 79.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.10692 |
| Heavy Atoms | 16 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 63551-43-9 |
|---|---|
| SMILES | CN1C(=CN=C1[N+](=O)[O-])C=NN2CCCC2 |
| InChIKey | QBFBFHVFSDTUGN-UHFFFAOYSA-N |
Product Overview
1-(3-methyl-2-nitroimidazol-4-yl)-N-pyrrolidin-1-ylmethanimine (CAS 63551-43-9), with molecular formula C9H13N5O2 and molecular weight 223.11 g/mol. IUPAC: 1-(3-methyl-2-nitroimidazol-4-yl)-N-pyrrolidin-1-ylmethanimine.
Chemical Property Profile of 1-(3-methyl-2-nitroimidazol-4-yl)-N-pyrrolidin-1-ylmethanimine
Property Insights of 1-(3-methyl-2-nitroimidazol-4-yl)-N-pyrrolidin-1-ylmethanimine
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-methyl-2-nitroimidazol-4-yl)-N-pyrrolidin-1-ylmethanimine. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-methyl-2-nitroimidazol-4-yl)-N-pyrrolidin-1-ylmethanimine. Following Lipinski's Rule of Five, 1-(3-methyl-2-nitroimidazol-4-yl)-N-pyrrolidin-1-ylmethanimine 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 1-(3-methyl-2-nitroimidazol-4-yl)-N-pyrrolidin-1-ylmethanimine?
The CAS number of 1-(3-methyl-2-nitroimidazol-4-yl)-N-pyrrolidin-1-ylmethanimine is 63551-43-9.
What is the molecular formula of 1-(3-methyl-2-nitroimidazol-4-yl)-N-pyrrolidin-1-ylmethanimine?
The molecular formula of 1-(3-methyl-2-nitroimidazol-4-yl)-N-pyrrolidin-1-ylmethanimine is C9H13N5O2.
What is the molecular weight of 1-(3-methyl-2-nitroimidazol-4-yl)-N-pyrrolidin-1-ylmethanimine?
The molecular weight of 1-(3-methyl-2-nitroimidazol-4-yl)-N-pyrrolidin-1-ylmethanimine is 223.11 g/mol.
Where can I buy 1-(3-methyl-2-nitroimidazol-4-yl)-N-pyrrolidin-1-ylmethanimine?
You can request a quote for 1-(3-methyl-2-nitroimidazol-4-yl)-N-pyrrolidin-1-ylmethanimine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-methyl-2-nitroimidazol-4-yl)-N-pyrrolidin-1-ylmethanimine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-methyl-2-nitroimidazol-4-yl)-N-pyrrolidin-1-ylmethanimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.