1-Amino-2-(1-cyano-1-ethoxycarbonylmethylene)-3-methylbenzimidazoline
TL;DR: 1-Amino-2-(1-cyano-1-ethoxycarbonylmethylene)-3-methylbenzimidazoline (CAS 5530-20-1) is a chemical compound with molecular formula C13H14N4O2 and molecular weight 258.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(1-amino-3-methylbenzimidazol-2-ylidene)-2-cyanoacetate
Also Known As: ethyl 2-(1-amino-3-methylbenzimidazol-2-ylidene)-2-cyanoacetate, 1-amino-2-(1-cyano-1-ethoxycarbonylmethylene)-3-methylbenzimidazoline, ETHYL (2Z)-2-(1-AMINO-3-METHYL-BENZOIMIDAZOL-2-YLIDENE)-2-CYANO-ACETATE
| Molecular Formula | C13H14N4O2 |
|---|---|
| Molecular Weight | 258.11 g/mol |
| LogP | 1.11478 |
| Topological Polar Surface Area | 82.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.11166 |
| Heavy Atoms | 19 |
| Complexity | 557.55115 |
Chemical Identifiers
| CAS Number | 5530-20-1 |
|---|---|
| SMILES | CCOC(=O)C(=C1N(C2=CC=CC=C2N1N)C)C#N |
Product Overview
1-Amino-2-(1-cyano-1-ethoxycarbonylmethylene)-3-methylbenzimidazoline (CAS 5530-20-1), with molecular formula C13H14N4O2 and molecular weight 258.11 g/mol. IUPAC: ethyl 2-(1-amino-3-methylbenzimidazol-2-ylidene)-2-cyanoacetate.
Chemical Property Profile of 1-Amino-2-(1-cyano-1-ethoxycarbonylmethylene)-3-methylbenzimidazoline
Property Insights of 1-Amino-2-(1-cyano-1-ethoxycarbonylmethylene)-3-methylbenzimidazoline
The XLogP value of 1.11478 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Amino-2-(1-cyano-1-ethoxycarbonylmethylene)-3-methylbenzimidazoline. The TPSA of 82.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Amino-2-(1-cyano-1-ethoxycarbonylmethylene)-3-methylbenzimidazoline. Following Lipinski's Rule of Five, 1-Amino-2-(1-cyano-1-ethoxycarbonylmethylene)-3-methylbenzimidazoline has 1 hydrogen bond donor(s) and 6 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-Amino-2-(1-cyano-1-ethoxycarbonylmethylene)-3-methylbenzimidazoline?
The CAS number of 1-Amino-2-(1-cyano-1-ethoxycarbonylmethylene)-3-methylbenzimidazoline is 5530-20-1.
What is the molecular formula of 1-Amino-2-(1-cyano-1-ethoxycarbonylmethylene)-3-methylbenzimidazoline?
The molecular formula of 1-Amino-2-(1-cyano-1-ethoxycarbonylmethylene)-3-methylbenzimidazoline is C13H14N4O2.
What is the molecular weight of 1-Amino-2-(1-cyano-1-ethoxycarbonylmethylene)-3-methylbenzimidazoline?
The molecular weight of 1-Amino-2-(1-cyano-1-ethoxycarbonylmethylene)-3-methylbenzimidazoline is 258.11 g/mol.
Where can I buy 1-Amino-2-(1-cyano-1-ethoxycarbonylmethylene)-3-methylbenzimidazoline?
You can request a quote for 1-Amino-2-(1-cyano-1-ethoxycarbonylmethylene)-3-methylbenzimidazoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Amino-2-(1-cyano-1-ethoxycarbonylmethylene)-3-methylbenzimidazoline?
Yes, KEHONG BIO provides custom synthesis services for 1-Amino-2-(1-cyano-1-ethoxycarbonylmethylene)-3-methylbenzimidazoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.