Cyanic acid, methyl ester
TL;DR: Cyanic acid, methyl ester (CAS 1768-34-9) is a chemical compound with molecular formula COC#N and molecular weight 57.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl cyanate
Also Known As: methyl cyanate, Methylcyanate, Methylcyanat, MeOCN, Cyanic acid, methyl ester
| Molecular Formula | COC#N |
|---|---|
| Molecular Weight | 57.02 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 57.021465 |
| Heavy Atoms | 4 |
| Complexity | 41.0 |
Chemical Identifiers
| CAS Number | 1768-34-9 |
|---|---|
| SMILES | COC#N |
| InChIKey | JYQQWQJCEUMXQZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyanic acid, methyl ester (CAS 1768-34-9), with molecular formula COC#N and molecular weight 57.02 g/mol. IUPAC: methyl cyanate.
Chemical Property Profile of Cyanic acid, methyl ester
Property Insights of Cyanic acid, methyl ester
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyanic acid, methyl ester. With a topological polar surface area (TPSA) of 33.0 Ų, Cyanic acid, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyanic acid, methyl ester has 0 hydrogen bond donor(s) and 2 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 Cyanic acid, methyl ester?
The CAS number of Cyanic acid, methyl ester is 1768-34-9.
What is the molecular formula of Cyanic acid, methyl ester?
The molecular formula of Cyanic acid, methyl ester is COC#N.
What is the molecular weight of Cyanic acid, methyl ester?
The molecular weight of Cyanic acid, methyl ester is 57.02 g/mol.
Where can I buy Cyanic acid, methyl ester?
You can request a quote for Cyanic acid, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyanic acid, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Cyanic acid, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.