乙内酰脲
TL;DR: 乙内酰脲 (CAS 461-72-3) is a chemical compound with molecular formula C3H4N2O2 and molecular weight 100.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙内酰脲
imidazolidine-2,4-dione
Also Known As: HYDANTOIN, imidazolidine-2,4-dione, 2,4-Imidazolidinedione, Glycolylurea, Dantochlor
| Molecular Formula | C3H4N2O2 |
|---|---|
| Molecular Weight | 100.03 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 100.027275 |
| Heavy Atoms | 7 |
| Complexity | 120.0 |
| Solubility | >15 [ug/mL] (The mean of the results at pH 7.4) |
| Vapor Pressure | 0.00000747 [mmHg] |
Chemical Identifiers
| CAS Number | 461-72-3 |
|---|---|
| SMILES | C1C(=O)NC(=O)N1 |
| InChIKey | WJRBRSLFGCUECM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乙内酰脲 (CAS 461-72-3), with molecular formula C3H4N2O2 and molecular weight 100.03 g/mol. IUPAC: imidazolidine-2,4-dione.
Chemical Property Profile of 乙内酰脲
Property Insights of 乙内酰脲
The XLogP value of -1.7 indicates that 乙内酰脲 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.2 Ų, 乙内酰脲 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 乙内酰脲 has 2 hydrogen bond donor(s) and 2 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 乙内酰脲?
The CAS number of 乙内酰脲 is 461-72-3.
What is the molecular formula of 乙内酰脲?
The molecular formula of 乙内酰脲 is C3H4N2O2.
What is the molecular weight of 乙内酰脲?
The molecular weight of 乙内酰脲 is 100.03 g/mol.
Where can I buy 乙内酰脲?
You can request a quote for 乙内酰脲 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙内酰脲?
Yes, KEHONG BIO provides custom synthesis services for 乙内酰脲 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.