sym-Diethylurea
TL;DR: sym-Diethylurea (CAS 623-76-7) is a chemical compound with molecular formula C5H12N2O and molecular weight 116.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diethylurea
Also Known As: 1,3-Diethylurea, sym-Diethylurea, N,N'-Diethylurea, Urea, N,N'-diethyl-, Diethylurea
| Molecular Formula | C5H12N2O |
|---|---|
| Molecular Weight | 116.09 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 116.09496 |
| Heavy Atoms | 8 |
| Complexity | 64.0 |
| Melting Point | 112.5 °C |
| Boiling Point | 263 °C @760 [mm Hg] |
Chemical Identifiers
| CAS Number | 623-76-7 |
|---|---|
| SMILES | CCNC(=O)NCC |
| InChIKey | ZWAVGZYKJNOTPX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
sym-Diethylurea (CAS 623-76-7), with molecular formula C5H12N2O and molecular weight 116.09 g/mol. IUPAC: 1,3-diethylurea.
Chemical Property Profile of sym-Diethylurea
Property Insights of sym-Diethylurea
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for sym-Diethylurea. With a topological polar surface area (TPSA) of 41.1 Ų, sym-Diethylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, sym-Diethylurea has 2 hydrogen bond donor(s) and 1 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 sym-Diethylurea?
The CAS number of sym-Diethylurea is 623-76-7.
What is the molecular formula of sym-Diethylurea?
The molecular formula of sym-Diethylurea is C5H12N2O.
What is the molecular weight of sym-Diethylurea?
The molecular weight of sym-Diethylurea is 116.09 g/mol.
Where can I buy sym-Diethylurea?
You can request a quote for sym-Diethylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for sym-Diethylurea?
Yes, KEHONG BIO provides custom synthesis services for sym-Diethylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.