1,1-Diethylbiuret
TL;DR: 1,1-Diethylbiuret (CAS 14628-80-9) is a chemical compound with molecular formula C6H13N3O2 and molecular weight 159.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-carbamoyl-1,1-diethylurea
Also Known As: 1,1-Diethylbiuret, 3-carbamoyl-1,1-diethylurea, n,n-diethyldicarbonimidic diamide, 3-Aminocarbonyl-1,1-diethylurea, N,N-Diethylimidodicarbonic diamide
| Molecular Formula | C6H13N3O2 |
|---|---|
| Molecular Weight | 159.10 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 75.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 159.10077 |
| Heavy Atoms | 11 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 14628-80-9 |
|---|---|
| SMILES | CCN(CC)C(=O)NC(=O)N |
| InChIKey | INJNMKQLHWZRQR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1-Diethylbiuret (CAS 14628-80-9), with molecular formula C6H13N3O2 and molecular weight 159.10 g/mol. IUPAC: 3-carbamoyl-1,1-diethylurea.
Chemical Property Profile of 1,1-Diethylbiuret
Property Insights of 1,1-Diethylbiuret
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Diethylbiuret. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1-Diethylbiuret. Following Lipinski's Rule of Five, 1,1-Diethylbiuret 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 1,1-Diethylbiuret?
The CAS number of 1,1-Diethylbiuret is 14628-80-9.
What is the molecular formula of 1,1-Diethylbiuret?
The molecular formula of 1,1-Diethylbiuret is C6H13N3O2.
What is the molecular weight of 1,1-Diethylbiuret?
The molecular weight of 1,1-Diethylbiuret is 159.10 g/mol.
Where can I buy 1,1-Diethylbiuret?
You can request a quote for 1,1-Diethylbiuret directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Diethylbiuret?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Diethylbiuret and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.