1-(1-Carbamoyl-1-methylethyl)-3-(1-cyano-1-methylethyl)urea
TL;DR: 1-(1-Carbamoyl-1-methylethyl)-3-(1-cyano-1-methylethyl)urea (CAS 305-39-5) is a chemical compound with molecular formula C9H16N4O2 and molecular weight 212.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-cyanopropan-2-ylcarbamoylamino)-2-methylpropanamide
Also Known As: n2-[(2-cyanopropan-2-yl)carbamoyl]-2-methylalaninamide, 1-(1-CARBAMOYL-1-METHYLETHYL)-3-(1-CYANO-1-METHYLETHYL)UREA, 2-(2-cyanopropan-2-ylcarbamoylamino)-2-methylpropanamide, 2-({[(2-Cyanopropan-2-yl)imino](hydroxy)methyl}amino)-2-methylpropanimidic acid
| Molecular Formula | C9H16N4O2 |
|---|---|
| Molecular Weight | 212.13 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.12732 |
| Heavy Atoms | 15 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 305-39-5 |
|---|---|
| SMILES | CC(C)(C#N)NC(=O)NC(C)(C)C(=O)N |
| InChIKey | AHIOEUNLFRYGGH-UHFFFAOYSA-N |
Product Overview
1-(1-Carbamoyl-1-methylethyl)-3-(1-cyano-1-methylethyl)urea (CAS 305-39-5), with molecular formula C9H16N4O2 and molecular weight 212.13 g/mol. IUPAC: 2-(2-cyanopropan-2-ylcarbamoylamino)-2-methylpropanamide.
Chemical Property Profile of 1-(1-Carbamoyl-1-methylethyl)-3-(1-cyano-1-methylethyl)urea
Property Insights of 1-(1-Carbamoyl-1-methylethyl)-3-(1-cyano-1-methylethyl)urea
The XLogP value of -0.7 indicates that 1-(1-Carbamoyl-1-methylethyl)-3-(1-cyano-1-methylethyl)urea is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1-Carbamoyl-1-methylethyl)-3-(1-cyano-1-methylethyl)urea. Following Lipinski's Rule of Five, 1-(1-Carbamoyl-1-methylethyl)-3-(1-cyano-1-methylethyl)urea has 3 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 1-(1-Carbamoyl-1-methylethyl)-3-(1-cyano-1-methylethyl)urea?
The CAS number of 1-(1-Carbamoyl-1-methylethyl)-3-(1-cyano-1-methylethyl)urea is 305-39-5.
What is the molecular formula of 1-(1-Carbamoyl-1-methylethyl)-3-(1-cyano-1-methylethyl)urea?
The molecular formula of 1-(1-Carbamoyl-1-methylethyl)-3-(1-cyano-1-methylethyl)urea is C9H16N4O2.
What is the molecular weight of 1-(1-Carbamoyl-1-methylethyl)-3-(1-cyano-1-methylethyl)urea?
The molecular weight of 1-(1-Carbamoyl-1-methylethyl)-3-(1-cyano-1-methylethyl)urea is 212.13 g/mol.
Where can I buy 1-(1-Carbamoyl-1-methylethyl)-3-(1-cyano-1-methylethyl)urea?
You can request a quote for 1-(1-Carbamoyl-1-methylethyl)-3-(1-cyano-1-methylethyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-Carbamoyl-1-methylethyl)-3-(1-cyano-1-methylethyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Carbamoyl-1-methylethyl)-3-(1-cyano-1-methylethyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.