Methoxymethyl isocyanate
TL;DR: Methoxymethyl isocyanate (CAS 6427-21-0) is a chemical compound with molecular formula C3H5NO2 and molecular weight 87.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
isocyanato(methoxy)methane
Also Known As: Methoxymethyl isocyanate, isocyanato(methoxy)methane, Isocyanatomethoxymethane, methoxymethylisocyanat, methoxymethylisocyanate
| Molecular Formula | C3H5NO2 |
|---|---|
| Molecular Weight | 87.03 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 87.03203 |
| Heavy Atoms | 6 |
| Complexity | 65.0 |
Chemical Identifiers
| CAS Number | 6427-21-0 |
|---|---|
| SMILES | COCN=C=O |
| InChIKey | HTVHSOYSKFBUGY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methoxymethyl isocyanate (CAS 6427-21-0), with molecular formula C3H5NO2 and molecular weight 87.03 g/mol. IUPAC: isocyanato(methoxy)methane.
Chemical Property Profile of Methoxymethyl isocyanate
Property Insights of Methoxymethyl isocyanate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methoxymethyl isocyanate. With a topological polar surface area (TPSA) of 38.7 Ų, Methoxymethyl isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methoxymethyl isocyanate 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 Methoxymethyl isocyanate?
The CAS number of Methoxymethyl isocyanate is 6427-21-0.
What is the molecular formula of Methoxymethyl isocyanate?
The molecular formula of Methoxymethyl isocyanate is C3H5NO2.
What is the molecular weight of Methoxymethyl isocyanate?
The molecular weight of Methoxymethyl isocyanate is 87.03 g/mol.
Where can I buy Methoxymethyl isocyanate?
You can request a quote for Methoxymethyl isocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methoxymethyl isocyanate?
Yes, KEHONG BIO provides custom synthesis services for Methoxymethyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.