Butylurea
TL;DR: Butylurea (CAS 592-31-4) 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.
butylurea
Also Known As: Butylurea, N-BUTYLUREA, 1-Butylurea, Urea, butyl-, Urea, N-butyl-
| Molecular Formula | C5H12N2O |
|---|---|
| Molecular Weight | 116.09 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 116.09496 |
| Heavy Atoms | 8 |
| Complexity | 72.0 |
| Melting Point | 96.1 °C |
| Solubility | 10 to 50 mg/mL at 64 °F (NTP, 1992) |
| Vapor Pressure | 0.03 [mmHg] |
Chemical Identifiers
| CAS Number | 592-31-4 |
|---|---|
| SMILES | CCCCNC(=O)N |
| InChIKey | CNWSQCLBDWYLAN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butylurea (CAS 592-31-4), with molecular formula C5H12N2O and molecular weight 116.09 g/mol. IUPAC: butylurea.
Chemical Property Profile of Butylurea
Property Insights of Butylurea
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butylurea. With a topological polar surface area (TPSA) of 55.1 Ų, Butylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butylurea 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 Butylurea?
The CAS number of Butylurea is 592-31-4.
What is the molecular formula of Butylurea?
The molecular formula of Butylurea is C5H12N2O.
What is the molecular weight of Butylurea?
The molecular weight of Butylurea is 116.09 g/mol.
Where can I buy Butylurea?
You can request a quote for Butylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butylurea?
Yes, KEHONG BIO provides custom synthesis services for Butylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.