Methylene isocyanate
TL;DR: Methylene isocyanate (CAS 4747-90-4) is a chemical compound with molecular formula C3H2N2O2 and molecular weight 98.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diisocyanatomethane
Also Known As: diisocyanatomethane, Methylene isocyanate, Methylene diisocyanate, Diisocynatomethane, Methane, diisocyanato-
| Molecular Formula | C3H2N2O2 |
|---|---|
| Molecular Weight | 98.01 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 98.01163 |
| Heavy Atoms | 7 |
| Complexity | 114.0 |
Chemical Identifiers
| CAS Number | 4747-90-4 |
|---|---|
| SMILES | C(N=C=O)N=C=O |
| InChIKey | KIQKWYUGPPFMBV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methylene isocyanate (CAS 4747-90-4), with molecular formula C3H2N2O2 and molecular weight 98.01 g/mol. IUPAC: diisocyanatomethane.
Chemical Property Profile of Methylene isocyanate
Property Insights of Methylene isocyanate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methylene isocyanate. With a topological polar surface area (TPSA) of 58.9 Ų, Methylene isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methylene isocyanate has 0 hydrogen bond donor(s) and 4 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 Methylene isocyanate?
The CAS number of Methylene isocyanate is 4747-90-4.
What is the molecular formula of Methylene isocyanate?
The molecular formula of Methylene isocyanate is C3H2N2O2.
What is the molecular weight of Methylene isocyanate?
The molecular weight of Methylene isocyanate is 98.01 g/mol.
Where can I buy Methylene isocyanate?
You can request a quote for Methylene isocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylene isocyanate?
Yes, KEHONG BIO provides custom synthesis services for Methylene isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.