Methyl 2-cyano-2-(2-imidazolidinylidene)acetate
TL;DR: Methyl 2-cyano-2-(2-imidazolidinylidene)acetate (CAS 91912-29-7) is a chemical compound with molecular formula C7H9N3O2 and molecular weight 167.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-cyano-2-imidazolidin-2-ylideneacetate
Also Known As: methyl cyano(imidazolidin-2-ylidene)acetate, methyl 2-cyano-2-imidazolidin-2-ylideneacetate, Methyl 2-cyano-2-(2-imidazolidinylidene)acetate, methyl 2-cyano-2-(imidazolidin-2-ylidene)acetate, AA-516/25012166
| Molecular Formula | C7H9N3O2 |
|---|---|
| Molecular Weight | 167.07 g/mol |
| LogP | -0.91262 |
| Topological Polar Surface Area | 74.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 167.06947 |
| Heavy Atoms | 12 |
| Complexity | 256.31528 |
Chemical Identifiers
| CAS Number | 91912-29-7 |
|---|---|
| SMILES | COC(=O)C(=C1NCCN1)C#N |
Product Overview
Methyl 2-cyano-2-(2-imidazolidinylidene)acetate (CAS 91912-29-7), with molecular formula C7H9N3O2 and molecular weight 167.07 g/mol. IUPAC: methyl 2-cyano-2-imidazolidin-2-ylideneacetate.
Chemical Property Profile of Methyl 2-cyano-2-(2-imidazolidinylidene)acetate
Property Insights of Methyl 2-cyano-2-(2-imidazolidinylidene)acetate
The XLogP value of -0.91262 indicates that Methyl 2-cyano-2-(2-imidazolidinylidene)acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 74.15 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-cyano-2-(2-imidazolidinylidene)acetate. Following Lipinski's Rule of Five, Methyl 2-cyano-2-(2-imidazolidinylidene)acetate has 2 hydrogen bond donor(s) and 5 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 Methyl 2-cyano-2-(2-imidazolidinylidene)acetate?
The CAS number of Methyl 2-cyano-2-(2-imidazolidinylidene)acetate is 91912-29-7.
What is the molecular formula of Methyl 2-cyano-2-(2-imidazolidinylidene)acetate?
The molecular formula of Methyl 2-cyano-2-(2-imidazolidinylidene)acetate is C7H9N3O2.
What is the molecular weight of Methyl 2-cyano-2-(2-imidazolidinylidene)acetate?
The molecular weight of Methyl 2-cyano-2-(2-imidazolidinylidene)acetate is 167.07 g/mol.
Where can I buy Methyl 2-cyano-2-(2-imidazolidinylidene)acetate?
You can request a quote for Methyl 2-cyano-2-(2-imidazolidinylidene)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-cyano-2-(2-imidazolidinylidene)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-cyano-2-(2-imidazolidinylidene)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.