5,5-二甲基海因
TL;DR: 5,5-二甲基海因 (CAS 77-71-4) is a chemical compound with molecular formula C5H8N2O2 and molecular weight 128.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-二甲基海因
5,5-dimethylimidazolidine-2,4-dione
Also Known As: 5,5-DIMETHYLHYDANTOIN, 5,5-dimethylimidazolidine-2,4-dione, Dimethylhydantoin, DM Hydantoin, Dantoin DMH
| Molecular Formula | C5H8N2O2 |
|---|---|
| Molecular Weight | 128.06 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 128.05858 |
| Heavy Atoms | 9 |
| Complexity | 174.0 |
| Melting Point | 178 °C |
| Boiling Point | Sublimes |
| Solubility | Very soluble in ethanol, ether, acetone, benzene, chloroform; soluble in DMSO |
| Vapor Pressure | 0.0000028 [mmHg] |
Chemical Identifiers
| CAS Number | 77-71-4 |
|---|---|
| SMILES | CC1(C(=O)NC(=O)N1)C |
| InChIKey | YIROYDNZEPTFOL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,5-二甲基海因 (CAS 77-71-4), with molecular formula C5H8N2O2 and molecular weight 128.06 g/mol. IUPAC: 5,5-dimethylimidazolidine-2,4-dione.
Chemical Property Profile of 5,5-二甲基海因
Property Insights of 5,5-二甲基海因
The XLogP value of -0.3 indicates that 5,5-二甲基海因 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, 5,5-二甲基海因 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,5-二甲基海因 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 5,5-二甲基海因?
The CAS number of 5,5-二甲基海因 is 77-71-4.
What is the molecular formula of 5,5-二甲基海因?
The molecular formula of 5,5-二甲基海因 is C5H8N2O2.
What is the molecular weight of 5,5-二甲基海因?
The molecular weight of 5,5-二甲基海因 is 128.06 g/mol.
Where can I buy 5,5-二甲基海因?
You can request a quote for 5,5-二甲基海因 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5-二甲基海因?
Yes, KEHONG BIO provides custom synthesis services for 5,5-二甲基海因 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.