Ethanimidic acid, N-cyano-, methyl ester
TL;DR: Ethanimidic acid, N-cyano-, methyl ester (CAS 5652-84-6) 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.
methyl N-cyanoethanimidate
Also Known As: Methyl N-cyanoacetimidate, Methyl N-cyanoethanimideate, Methyl N-cyanoethanimidate, METHYL N-CYANOACETOIMIDATE, Ethanimidic acid, N-cyano-, methyl ester
| Molecular Formula | C4H6N2O |
|---|---|
| Molecular Weight | 98.05 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 45.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 98.04801 |
| Heavy Atoms | 7 |
| Complexity | 119.0 |
Chemical Identifiers
| CAS Number | 5652-84-6 |
|---|---|
| SMILES | CC(=NC#N)OC |
| InChIKey | LILTZUFNZDRURN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethanimidic acid, N-cyano-, methyl ester (CAS 5652-84-6), with molecular formula C4H6N2O and molecular weight 98.05 g/mol. IUPAC: methyl N-cyanoethanimidate.
Chemical Property Profile of Ethanimidic acid, N-cyano-, methyl ester
Property Insights of Ethanimidic acid, N-cyano-, methyl ester
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanimidic acid, N-cyano-, methyl ester. With a topological polar surface area (TPSA) of 45.4 Ų, Ethanimidic acid, N-cyano-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanimidic acid, N-cyano-, methyl 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 Ethanimidic acid, N-cyano-, methyl ester?
The CAS number of Ethanimidic acid, N-cyano-, methyl ester is 5652-84-6.
What is the molecular formula of Ethanimidic acid, N-cyano-, methyl ester?
The molecular formula of Ethanimidic acid, N-cyano-, methyl ester is C4H6N2O.
What is the molecular weight of Ethanimidic acid, N-cyano-, methyl ester?
The molecular weight of Ethanimidic acid, N-cyano-, methyl ester is 98.05 g/mol.
Where can I buy Ethanimidic acid, N-cyano-, methyl ester?
You can request a quote for Ethanimidic acid, N-cyano-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanimidic acid, N-cyano-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Ethanimidic acid, N-cyano-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.