1,3-Dimethyl-2-imidazolone
TL;DR: 1,3-Dimethyl-2-imidazolone (CAS 39799-78-5) is a chemical compound with molecular formula C5H8N2O and molecular weight 112.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethylimidazol-2-one
Also Known As: 1,3-dimethyl-2-imidazolone, 1,3-dimethylimidazol-2-one, N,N'-dimethylimidazol-2-one, N,N'-dimethylimidazoline-2-one, 1,3-Dimethyl-1H-imidazol-2(3H)-one
| Molecular Formula | C5H8N2O |
|---|---|
| Molecular Weight | 112.06 g/mol |
| LogP | -0.2762 |
| Topological Polar Surface Area | 26.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 112.06366 |
| Heavy Atoms | 8 |
| Complexity | 210.32187 |
Chemical Identifiers
| CAS Number | 39799-78-5 |
|---|---|
| SMILES | CN1C=CN(C1=O)C |
Product Overview
1,3-Dimethyl-2-imidazolone (CAS 39799-78-5), with molecular formula C5H8N2O and molecular weight 112.06 g/mol. IUPAC: 1,3-dimethylimidazol-2-one.
Chemical Property Profile of 1,3-Dimethyl-2-imidazolone
Property Insights of 1,3-Dimethyl-2-imidazolone
The XLogP value of -0.2762 indicates that 1,3-Dimethyl-2-imidazolone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 26.93 Ų, 1,3-Dimethyl-2-imidazolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dimethyl-2-imidazolone 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 1,3-Dimethyl-2-imidazolone?
The CAS number of 1,3-Dimethyl-2-imidazolone is 39799-78-5.
What is the molecular formula of 1,3-Dimethyl-2-imidazolone?
The molecular formula of 1,3-Dimethyl-2-imidazolone is C5H8N2O.
What is the molecular weight of 1,3-Dimethyl-2-imidazolone?
The molecular weight of 1,3-Dimethyl-2-imidazolone is 112.06 g/mol.
Where can I buy 1,3-Dimethyl-2-imidazolone?
You can request a quote for 1,3-Dimethyl-2-imidazolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethyl-2-imidazolone?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl-2-imidazolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.