3,6,8-Trimethylallantoin
TL;DR: 3,6,8-Trimethylallantoin (CAS 42794-72-9) is a chemical compound with molecular formula C7H12N4O3 and molecular weight 200.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-1-(1-methyl-2,5-dioxoimidazolidin-4-yl)urea
Also Known As: 3,6,8-Trimethylallantoin, c1154, 1,3-dimethyl-1-(1-methyl-2,5-dioxoimidazolidin-4-yl)urea, 1,3-dimethyl-1-(1-methyl-2,5-dioxo-4-imidazolidinyl)urea, J2.802.445B
| Molecular Formula | C7H12N4O3 |
|---|---|
| Molecular Weight | 200.09 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 81.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 200.09094 |
| Heavy Atoms | 14 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 42794-72-9 |
|---|---|
| SMILES | CNC(=O)N(C)C1C(=O)N(C(=O)N1)C |
| InChIKey | SUPBSHBVIKDGQN-UHFFFAOYSA-N |
Product Overview
3,6,8-Trimethylallantoin (CAS 42794-72-9), with molecular formula C7H12N4O3 and molecular weight 200.09 g/mol. IUPAC: 1,3-dimethyl-1-(1-methyl-2,5-dioxoimidazolidin-4-yl)urea.
Chemical Property Profile of 3,6,8-Trimethylallantoin
Property Insights of 3,6,8-Trimethylallantoin
The XLogP value of -1.4 indicates that 3,6,8-Trimethylallantoin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 81.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,6,8-Trimethylallantoin. Following Lipinski's Rule of Five, 3,6,8-Trimethylallantoin has 2 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 3,6,8-Trimethylallantoin?
The CAS number of 3,6,8-Trimethylallantoin is 42794-72-9.
What is the molecular formula of 3,6,8-Trimethylallantoin?
The molecular formula of 3,6,8-Trimethylallantoin is C7H12N4O3.
What is the molecular weight of 3,6,8-Trimethylallantoin?
The molecular weight of 3,6,8-Trimethylallantoin is 200.09 g/mol.
Where can I buy 3,6,8-Trimethylallantoin?
You can request a quote for 3,6,8-Trimethylallantoin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6,8-Trimethylallantoin?
Yes, KEHONG BIO provides custom synthesis services for 3,6,8-Trimethylallantoin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.