Methyl 3-imidate-2,2,5,5-tetramethylpyrroline 1-oxide
TL;DR: Methyl 3-imidate-2,2,5,5-tetramethylpyrroline 1-oxide (CAS 77044-72-5) is a chemical compound with molecular formula C10H17N2O2 and molecular weight 197.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Also Known As: Mitmpo, 2-Chlorocyclohexyl 2,4-dinitrophenyl sulfone, Methyl 3-imidate-2,2,5,5-tetramethylpyrroline 1-oxide, 1H-Pyrrol-1-yloxy, 2,5-dihydro-3-(iminomethoxymethyl)-2,2,5,5-tetramethyl-, RefChem:157496
| Molecular Formula | C10H17N2O2 |
|---|---|
| Molecular Weight | 197.13 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 197.129 |
| Heavy Atoms | 14 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 77044-72-5 |
|---|---|
| SMILES | CC1(C=C(C(N1[O])(C)C)COC=N)C |
| InChIKey | APDJLTZMHKQYAQ-UHFFFAOYSA-N |
Product Overview
Methyl 3-imidate-2,2,5,5-tetramethylpyrroline 1-oxide (CAS 77044-72-5), with molecular formula C10H17N2O2 and molecular weight 197.13 g/mol.
Chemical Property Profile of Methyl 3-imidate-2,2,5,5-tetramethylpyrroline 1-oxide
Property Insights of Methyl 3-imidate-2,2,5,5-tetramethylpyrroline 1-oxide
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-imidate-2,2,5,5-tetramethylpyrroline 1-oxide. With a topological polar surface area (TPSA) of 37.3 Ų, Methyl 3-imidate-2,2,5,5-tetramethylpyrroline 1-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-imidate-2,2,5,5-tetramethylpyrroline 1-oxide has 1 hydrogen bond donor(s) and 3 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 3-imidate-2,2,5,5-tetramethylpyrroline 1-oxide?
The CAS number of Methyl 3-imidate-2,2,5,5-tetramethylpyrroline 1-oxide is 77044-72-5.
What is the molecular formula of Methyl 3-imidate-2,2,5,5-tetramethylpyrroline 1-oxide?
The molecular formula of Methyl 3-imidate-2,2,5,5-tetramethylpyrroline 1-oxide is C10H17N2O2.
What is the molecular weight of Methyl 3-imidate-2,2,5,5-tetramethylpyrroline 1-oxide?
The molecular weight of Methyl 3-imidate-2,2,5,5-tetramethylpyrroline 1-oxide is 197.13 g/mol.
Where can I buy Methyl 3-imidate-2,2,5,5-tetramethylpyrroline 1-oxide?
You can request a quote for Methyl 3-imidate-2,2,5,5-tetramethylpyrroline 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-imidate-2,2,5,5-tetramethylpyrroline 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-imidate-2,2,5,5-tetramethylpyrroline 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.