氰基甲酸甲酯
TL;DR: 氰基甲酸甲酯 (CAS 17640-15-2) is a chemical compound with molecular formula C3H3NO2 and molecular weight 85.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氰基甲酸甲酯
methyl cyanoformate
Also Known As: Methyl cyanoformate, Carbonocyanidic acid, methyl ester, Cyklon A, Cyklon A [Czech], null
| Molecular Formula | C3H3NO2 |
|---|---|
| Molecular Weight | 85.02 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 85.01638 |
| Heavy Atoms | 6 |
| Complexity | 98.0 |
Chemical Identifiers
| CAS Number | 17640-15-2 |
|---|---|
| SMILES | COC(=O)C#N |
| InChIKey | OBWFJXLKRAFEDI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氰基甲酸甲酯 (CAS 17640-15-2), with molecular formula C3H3NO2 and molecular weight 85.02 g/mol. IUPAC: methyl cyanoformate.
Chemical Property Profile of 氰基甲酸甲酯
Property Insights of 氰基甲酸甲酯
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氰基甲酸甲酯. With a topological polar surface area (TPSA) of 50.1 Ų, 氰基甲酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氰基甲酸甲酯 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 氰基甲酸甲酯?
The CAS number of 氰基甲酸甲酯 is 17640-15-2.
What is the molecular formula of 氰基甲酸甲酯?
The molecular formula of 氰基甲酸甲酯 is C3H3NO2.
What is the molecular weight of 氰基甲酸甲酯?
The molecular weight of 氰基甲酸甲酯 is 85.02 g/mol.
Where can I buy 氰基甲酸甲酯?
You can request a quote for 氰基甲酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氰基甲酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 氰基甲酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.