1,3,8-Trimethylallantoin
TL;DR: 1,3,8-Trimethylallantoin (CAS 5460-08-2) 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-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-3-methylurea
Also Known As: 1,3,8-Trimethylallantoin, 1,3,8-Tma, Urea, N-(1,3-dimethyl-2,5-dioxo-4-imidazolidinyl)-N'-methyl-, 1-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-3-methylurea, N-(1,3-dimethyl-2,5-dioxo-imidazolidin-4-yl)-N'-methyl-urea
| 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 | 5460-08-2 |
|---|---|
| SMILES | CNC(=O)NC1C(=O)N(C(=O)N1C)C |
| InChIKey | GTVVDWODKSYESY-UHFFFAOYSA-N |
Product Overview
1,3,8-Trimethylallantoin (CAS 5460-08-2), with molecular formula C7H12N4O3 and molecular weight 200.09 g/mol. IUPAC: 1-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-3-methylurea.
Chemical Property Profile of 1,3,8-Trimethylallantoin
Property Insights of 1,3,8-Trimethylallantoin
The XLogP value of -1.4 indicates that 1,3,8-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 1,3,8-Trimethylallantoin. Following Lipinski's Rule of Five, 1,3,8-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 1,3,8-Trimethylallantoin?
The CAS number of 1,3,8-Trimethylallantoin is 5460-08-2.
What is the molecular formula of 1,3,8-Trimethylallantoin?
The molecular formula of 1,3,8-Trimethylallantoin is C7H12N4O3.
What is the molecular weight of 1,3,8-Trimethylallantoin?
The molecular weight of 1,3,8-Trimethylallantoin is 200.09 g/mol.
Where can I buy 1,3,8-Trimethylallantoin?
You can request a quote for 1,3,8-Trimethylallantoin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,8-Trimethylallantoin?
Yes, KEHONG BIO provides custom synthesis services for 1,3,8-Trimethylallantoin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.