N-Cyanoacetyl-N'-isobutylurea
TL;DR: N-Cyanoacetyl-N'-isobutylurea (CAS 59341-75-2) is a chemical compound with molecular formula C8H13N3O2 and molecular weight 183.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyano-N-(2-methylpropylcarbamoyl)acetamide
Also Known As: N-CYANOACETYL-N'-ISOBUTYLUREA, N-Cyanoacetyl-Nisobutylurea, 1-isobutyl-3-cyanoacetylurea, 2-cyano-N-(2-methylpropylcarbamoyl)acetamide, N-Cyanoacetyl-N/'-isobutylurea
| Molecular Formula | C8H13N3O2 |
|---|---|
| Molecular Weight | 183.10 g/mol |
| LogP | 0.38188 |
| Topological Polar Surface Area | 81.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 183.10077 |
| Heavy Atoms | 13 |
| Complexity | 230.03386 |
Chemical Identifiers
| CAS Number | 59341-75-2 |
|---|---|
| SMILES | CC(C)CNC(=O)NC(=O)CC#N |
Product Overview
N-Cyanoacetyl-N'-isobutylurea (CAS 59341-75-2), with molecular formula C8H13N3O2 and molecular weight 183.10 g/mol. IUPAC: 2-cyano-N-(2-methylpropylcarbamoyl)acetamide.
Chemical Property Profile of N-Cyanoacetyl-N'-isobutylurea
Property Insights of N-Cyanoacetyl-N'-isobutylurea
The XLogP value of 0.38188 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Cyanoacetyl-N'-isobutylurea. The TPSA of 81.99 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Cyanoacetyl-N'-isobutylurea. Following Lipinski's Rule of Five, N-Cyanoacetyl-N'-isobutylurea has 2 hydrogen bond donor(s) and 3 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 N-Cyanoacetyl-N'-isobutylurea?
The CAS number of N-Cyanoacetyl-N'-isobutylurea is 59341-75-2.
What is the molecular formula of N-Cyanoacetyl-N'-isobutylurea?
The molecular formula of N-Cyanoacetyl-N'-isobutylurea is C8H13N3O2.
What is the molecular weight of N-Cyanoacetyl-N'-isobutylurea?
The molecular weight of N-Cyanoacetyl-N'-isobutylurea is 183.10 g/mol.
Where can I buy N-Cyanoacetyl-N'-isobutylurea?
You can request a quote for N-Cyanoacetyl-N'-isobutylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Cyanoacetyl-N'-isobutylurea?
Yes, KEHONG BIO provides custom synthesis services for N-Cyanoacetyl-N'-isobutylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.