3,3-Diethyl-5,5-dimethylpyrroline 1-oxide
TL;DR: 3,3-Diethyl-5,5-dimethylpyrroline 1-oxide (CAS 1254-38-2) is a chemical compound with molecular formula C10H19NO and molecular weight 169.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-diethyl-2,2-dimethyl-1-oxido-3H-pyrrol-1-ium
Also Known As: Dedmpo, 3,3-Diethyl-5,5-dimethylpyrroline 1-oxide, 4,4-diethyl-2,2-dimethyl-1-oxido-3H-pyrrol-1-ium, 2h-pyrrole, 4,4-diethyl-3,4-dihydro-2,2-dimethyl-, 1-oxide, 2H-Pyrrole,4,4-diethyl-3,4-dihydro-2,2-dimethyl-, 1-oxide
| Molecular Formula | C10H19NO |
|---|---|
| Molecular Weight | 169.15 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 28.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 169.14667 |
| Heavy Atoms | 12 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 1254-38-2 |
|---|---|
| SMILES | CCC1(CC([N+](=C1)[O-])(C)C)CC |
| InChIKey | RMOZKPNIGDMZBV-UHFFFAOYSA-N |
Product Overview
3,3-Diethyl-5,5-dimethylpyrroline 1-oxide (CAS 1254-38-2), with molecular formula C10H19NO and molecular weight 169.15 g/mol. IUPAC: 4,4-diethyl-2,2-dimethyl-1-oxido-3H-pyrrol-1-ium.
Chemical Property Profile of 3,3-Diethyl-5,5-dimethylpyrroline 1-oxide
Property Insights of 3,3-Diethyl-5,5-dimethylpyrroline 1-oxide
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Diethyl-5,5-dimethylpyrroline 1-oxide. With a topological polar surface area (TPSA) of 28.8 Ų, 3,3-Diethyl-5,5-dimethylpyrroline 1-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Diethyl-5,5-dimethylpyrroline 1-oxide has 0 hydrogen bond donor(s) and 1 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 3,3-Diethyl-5,5-dimethylpyrroline 1-oxide?
The CAS number of 3,3-Diethyl-5,5-dimethylpyrroline 1-oxide is 1254-38-2.
What is the molecular formula of 3,3-Diethyl-5,5-dimethylpyrroline 1-oxide?
The molecular formula of 3,3-Diethyl-5,5-dimethylpyrroline 1-oxide is C10H19NO.
What is the molecular weight of 3,3-Diethyl-5,5-dimethylpyrroline 1-oxide?
The molecular weight of 3,3-Diethyl-5,5-dimethylpyrroline 1-oxide is 169.15 g/mol.
Where can I buy 3,3-Diethyl-5,5-dimethylpyrroline 1-oxide?
You can request a quote for 3,3-Diethyl-5,5-dimethylpyrroline 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Diethyl-5,5-dimethylpyrroline 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Diethyl-5,5-dimethylpyrroline 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.