(3-Methylbutyryl)urea
TL;DR: (3-Methylbutyryl)urea (CAS 2274-08-0) is a chemical compound with molecular formula C6H12N2O2 and molecular weight 144.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-carbamoyl-3-methylbutanamide
Also Known As: ISOVALERYLUREA, (3-methylbutyryl)urea, N-carbamoyl-3-methylbutanamide, Isovalerylharnstoff, Bromisoval Impurity 2
| Molecular Formula | C6H12N2O2 |
|---|---|
| Molecular Weight | 144.09 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 72.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 144.08987 |
| Heavy Atoms | 10 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 2274-08-0 |
|---|---|
| SMILES | CC(C)CC(=O)NC(=O)N |
| InChIKey | KBJPBSNKRUDROY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3-Methylbutyryl)urea (CAS 2274-08-0), with molecular formula C6H12N2O2 and molecular weight 144.09 g/mol. IUPAC: N-carbamoyl-3-methylbutanamide.
Chemical Property Profile of (3-Methylbutyryl)urea
Property Insights of (3-Methylbutyryl)urea
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Methylbutyryl)urea. The TPSA of 72.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Methylbutyryl)urea. Following Lipinski's Rule of Five, (3-Methylbutyryl)urea 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 (3-Methylbutyryl)urea?
The CAS number of (3-Methylbutyryl)urea is 2274-08-0.
What is the molecular formula of (3-Methylbutyryl)urea?
The molecular formula of (3-Methylbutyryl)urea is C6H12N2O2.
What is the molecular weight of (3-Methylbutyryl)urea?
The molecular weight of (3-Methylbutyryl)urea is 144.09 g/mol.
Where can I buy (3-Methylbutyryl)urea?
You can request a quote for (3-Methylbutyryl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Methylbutyryl)urea?
Yes, KEHONG BIO provides custom synthesis services for (3-Methylbutyryl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.