1,1-Bis(2-cyanoethyl)-3-methylurea
TL;DR: 1,1-Bis(2-cyanoethyl)-3-methylurea (CAS 7150-64-3) is a chemical compound with molecular formula C8H12N4O and molecular weight 180.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-bis(2-cyanoethyl)-3-methylurea
Also Known As: 1,1-bis(2-cyanoethyl)-3-methylurea, KST-1B9242, 3,3-bis(2-cyanoethyl)-1-methylurea, N,N-Bis(2-cyanoethyl)-N'-methylurea, 1,1-bis(2-cyanoethyl)-3-methyl-urea
| Molecular Formula | C8H12N4O |
|---|---|
| Molecular Weight | 180.10 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 79.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 180.1011 |
| Heavy Atoms | 13 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 7150-64-3 |
|---|---|
| SMILES | CNC(=O)N(CCC#N)CCC#N |
| InChIKey | CBEDLYXMIQVSNQ-UHFFFAOYSA-N |
Product Overview
1,1-Bis(2-cyanoethyl)-3-methylurea (CAS 7150-64-3), with molecular formula C8H12N4O and molecular weight 180.10 g/mol. IUPAC: 1,1-bis(2-cyanoethyl)-3-methylurea.
Chemical Property Profile of 1,1-Bis(2-cyanoethyl)-3-methylurea
Property Insights of 1,1-Bis(2-cyanoethyl)-3-methylurea
The XLogP value of -1.1 indicates that 1,1-Bis(2-cyanoethyl)-3-methylurea is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 79.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1-Bis(2-cyanoethyl)-3-methylurea. Following Lipinski's Rule of Five, 1,1-Bis(2-cyanoethyl)-3-methylurea has 1 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-Bis(2-cyanoethyl)-3-methylurea?
The CAS number of 1,1-Bis(2-cyanoethyl)-3-methylurea is 7150-64-3.
What is the molecular formula of 1,1-Bis(2-cyanoethyl)-3-methylurea?
The molecular formula of 1,1-Bis(2-cyanoethyl)-3-methylurea is C8H12N4O.
What is the molecular weight of 1,1-Bis(2-cyanoethyl)-3-methylurea?
The molecular weight of 1,1-Bis(2-cyanoethyl)-3-methylurea is 180.10 g/mol.
Where can I buy 1,1-Bis(2-cyanoethyl)-3-methylurea?
You can request a quote for 1,1-Bis(2-cyanoethyl)-3-methylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Bis(2-cyanoethyl)-3-methylurea?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Bis(2-cyanoethyl)-3-methylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.