1-Cyano-2,3-dimethylisourea
TL;DR: 1-Cyano-2,3-dimethylisourea (CAS 94134-02-8) is a chemical compound with molecular formula C4H7N3O and molecular weight 113.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-cyano-N'-methylcarbamimidate
Also Known As: 1-Cyano-2,3-dimethylisourea, 3-Cyano-1,2-dimethylisourea, EINECS 302-768-5, N-Cyano-N'-O-Dimethylisourea, methyl N-cyano-N'-methylcarbamimidate
| Molecular Formula | C4H7N3O |
|---|---|
| Molecular Weight | 113.06 g/mol |
| LogP | -0.31072 |
| Topological Polar Surface Area | 57.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 113.058914 |
| Heavy Atoms | 8 |
| Complexity | 123.73534 |
Chemical Identifiers
| CAS Number | 94134-02-8 |
|---|---|
| SMILES | CN=C(NC#N)OC |
Product Overview
1-Cyano-2,3-dimethylisourea (CAS 94134-02-8), with molecular formula C4H7N3O and molecular weight 113.06 g/mol. IUPAC: methyl N-cyano-N'-methylcarbamimidate.
Chemical Property Profile of 1-Cyano-2,3-dimethylisourea
Property Insights of 1-Cyano-2,3-dimethylisourea
The XLogP value of -0.31072 indicates that 1-Cyano-2,3-dimethylisourea is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 57.41 Ų, 1-Cyano-2,3-dimethylisourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Cyano-2,3-dimethylisourea 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-Cyano-2,3-dimethylisourea?
The CAS number of 1-Cyano-2,3-dimethylisourea is 94134-02-8.
What is the molecular formula of 1-Cyano-2,3-dimethylisourea?
The molecular formula of 1-Cyano-2,3-dimethylisourea is C4H7N3O.
What is the molecular weight of 1-Cyano-2,3-dimethylisourea?
The molecular weight of 1-Cyano-2,3-dimethylisourea is 113.06 g/mol.
Where can I buy 1-Cyano-2,3-dimethylisourea?
You can request a quote for 1-Cyano-2,3-dimethylisourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Cyano-2,3-dimethylisourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Cyano-2,3-dimethylisourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.