1,3-Dimethyl-1-(methylcarbamoyl)urea
TL;DR: 1,3-Dimethyl-1-(methylcarbamoyl)urea (CAS 816-00-2) is a chemical compound with molecular formula C5H11N3O2 and molecular weight 145.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-1-(methylcarbamoyl)urea
Also Known As: 1,3,5-trimethylbiuret, N,N',N''-trimethylbiuret, Urapidil Impurity 86, 1,3-dimethyl-1-(methylcarbamoyl)urea, 1,3,5-trimethyl-biuret
| Molecular Formula | C5H11N3O2 |
|---|---|
| Molecular Weight | 145.09 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 61.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 145.08513 |
| Heavy Atoms | 10 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 816-00-2 |
|---|---|
| SMILES | CNC(=O)N(C)C(=O)NC |
| InChIKey | UOLKUOBCZVAOEZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dimethyl-1-(methylcarbamoyl)urea (CAS 816-00-2), with molecular formula C5H11N3O2 and molecular weight 145.09 g/mol. IUPAC: 1,3-dimethyl-1-(methylcarbamoyl)urea.
Chemical Property Profile of 1,3-Dimethyl-1-(methylcarbamoyl)urea
Property Insights of 1,3-Dimethyl-1-(methylcarbamoyl)urea
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dimethyl-1-(methylcarbamoyl)urea. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dimethyl-1-(methylcarbamoyl)urea. Following Lipinski's Rule of Five, 1,3-Dimethyl-1-(methylcarbamoyl)urea 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 1,3-Dimethyl-1-(methylcarbamoyl)urea?
The CAS number of 1,3-Dimethyl-1-(methylcarbamoyl)urea is 816-00-2.
What is the molecular formula of 1,3-Dimethyl-1-(methylcarbamoyl)urea?
The molecular formula of 1,3-Dimethyl-1-(methylcarbamoyl)urea is C5H11N3O2.
What is the molecular weight of 1,3-Dimethyl-1-(methylcarbamoyl)urea?
The molecular weight of 1,3-Dimethyl-1-(methylcarbamoyl)urea is 145.09 g/mol.
Where can I buy 1,3-Dimethyl-1-(methylcarbamoyl)urea?
You can request a quote for 1,3-Dimethyl-1-(methylcarbamoyl)urea 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-1-(methylcarbamoyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl-1-(methylcarbamoyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.