Methanimidic acid, N-cyano-, ethyl ester
TL;DR: Methanimidic acid, N-cyano-, ethyl ester (CAS 4428-98-2) is a chemical compound with molecular formula C4H6N2O and molecular weight 98.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-cyanomethanimidate
Also Known As: ethyl cyanoimidoformate, ethyl N-cyanoformimidate, ethyl N-cyanomethanimidate, ethoxymethylenecyanamide, ethyl cyanomethanimidate
| Molecular Formula | C4H6N2O |
|---|---|
| Molecular Weight | 98.05 g/mol |
| LogP | 0.53228 |
| Topological Polar Surface Area | 45.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 98.04801 |
| Heavy Atoms | 7 |
| Complexity | 92.35314 |
Chemical Identifiers
| CAS Number | 4428-98-2 |
|---|---|
| SMILES | CCOC=NC#N |
Product Overview
Methanimidic acid, N-cyano-, ethyl ester (CAS 4428-98-2), with molecular formula C4H6N2O and molecular weight 98.05 g/mol. IUPAC: ethyl N-cyanomethanimidate.
Chemical Property Profile of Methanimidic acid, N-cyano-, ethyl ester
Property Insights of Methanimidic acid, N-cyano-, ethyl ester
The XLogP value of 0.53228 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methanimidic acid, N-cyano-, ethyl ester. With a topological polar surface area (TPSA) of 45.38 Ų, Methanimidic acid, N-cyano-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methanimidic acid, N-cyano-, ethyl ester has 0 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 Methanimidic acid, N-cyano-, ethyl ester?
The CAS number of Methanimidic acid, N-cyano-, ethyl ester is 4428-98-2.
What is the molecular formula of Methanimidic acid, N-cyano-, ethyl ester?
The molecular formula of Methanimidic acid, N-cyano-, ethyl ester is C4H6N2O.
What is the molecular weight of Methanimidic acid, N-cyano-, ethyl ester?
The molecular weight of Methanimidic acid, N-cyano-, ethyl ester is 98.05 g/mol.
Where can I buy Methanimidic acid, N-cyano-, ethyl ester?
You can request a quote for Methanimidic acid, N-cyano-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methanimidic acid, N-cyano-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Methanimidic acid, N-cyano-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.