Isobutylurea
TL;DR: Isobutylurea (CAS 592-17-6) 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.
2-methylpropylurea
Also Known As: Isobutylurea, 1-Isobutylurea, N-Isobutylurea, isobutyl urea, (2-Methylpropyl)urea
| Molecular Formula | C5H12N2O |
|---|---|
| Molecular Weight | 116.09 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 116.09496 |
| Heavy Atoms | 8 |
| Complexity | 80.0 |
Chemical Identifiers
| CAS Number | 592-17-6 |
|---|---|
| SMILES | CC(C)CNC(=O)N |
| InChIKey | MQBITTBZTXUIPN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isobutylurea (CAS 592-17-6), with molecular formula C5H12N2O and molecular weight 116.09 g/mol. IUPAC: 2-methylpropylurea.
Chemical Property Profile of Isobutylurea
Property Insights of Isobutylurea
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobutylurea. With a topological polar surface area (TPSA) of 55.1 Ų, Isobutylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutylurea 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 Isobutylurea?
The CAS number of Isobutylurea is 592-17-6.
What is the molecular formula of Isobutylurea?
The molecular formula of Isobutylurea is C5H12N2O.
What is the molecular weight of Isobutylurea?
The molecular weight of Isobutylurea is 116.09 g/mol.
Where can I buy Isobutylurea?
You can request a quote for Isobutylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutylurea?
Yes, KEHONG BIO provides custom synthesis services for Isobutylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.