Isobutyrylurea
TL;DR: Isobutyrylurea (CAS 23549-54-4) is a chemical compound with molecular formula C5H10N2O2 and molecular weight 130.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-carbamoyl-2-methylpropanamide
Also Known As: Isobutyrylurea, N-Isobutyrylurea #, methylpropionic acid ureide, N-carbamoyl-2-methylpropanamide, (2-methylpropanoyl)urea
| Molecular Formula | C5H10N2O2 |
|---|---|
| Molecular Weight | 130.07 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 72.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 130.07423 |
| Heavy Atoms | 9 |
| Complexity | 131.0 |
Chemical Identifiers
| CAS Number | 23549-54-4 |
|---|---|
| SMILES | CC(C)C(=O)NC(=O)N |
| InChIKey | BSJVXAGXBJYPJZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isobutyrylurea (CAS 23549-54-4), with molecular formula C5H10N2O2 and molecular weight 130.07 g/mol. IUPAC: N-carbamoyl-2-methylpropanamide.
Chemical Property Profile of Isobutyrylurea
Property Insights of Isobutyrylurea
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobutyrylurea. The TPSA of 72.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Isobutyrylurea. Following Lipinski's Rule of Five, Isobutyrylurea 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 Isobutyrylurea?
The CAS number of Isobutyrylurea is 23549-54-4.
What is the molecular formula of Isobutyrylurea?
The molecular formula of Isobutyrylurea is C5H10N2O2.
What is the molecular weight of Isobutyrylurea?
The molecular weight of Isobutyrylurea is 130.07 g/mol.
Where can I buy Isobutyrylurea?
You can request a quote for Isobutyrylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyrylurea?
Yes, KEHONG BIO provides custom synthesis services for Isobutyrylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.