Trichloroacetyl isocyanate
TL;DR: Trichloroacetyl isocyanate (CAS 3019-71-4) is a chemical compound with molecular formula C3Cl3NO2 and molecular weight 186.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trichloroacetyl isocyanate
Also Known As: Trichloroacetyl isocyanate, 2,2,2-Trichloroacetyl isocyanate, Acetyl isocyanate, trichloro-, Trichloroacetylisocyanate, trichloroethanecarbonyl isocyanate
| Molecular Formula | C3Cl3NO2 |
|---|---|
| Molecular Weight | 186.90 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 186.89946 |
| Heavy Atoms | 9 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 3019-71-4 |
|---|---|
| SMILES | C(=NC(=O)C(Cl)(Cl)Cl)=O |
| InChIKey | GRNOZCCBOFGDCL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trichloroacetyl isocyanate (CAS 3019-71-4), with molecular formula C3Cl3NO2 and molecular weight 186.90 g/mol. IUPAC: 2,2,2-trichloroacetyl isocyanate.
Chemical Property Profile of Trichloroacetyl isocyanate
Property Insights of Trichloroacetyl isocyanate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trichloroacetyl isocyanate. With a topological polar surface area (TPSA) of 46.5 Ų, Trichloroacetyl isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trichloroacetyl isocyanate 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 Trichloroacetyl isocyanate?
The CAS number of Trichloroacetyl isocyanate is 3019-71-4.
What is the molecular formula of Trichloroacetyl isocyanate?
The molecular formula of Trichloroacetyl isocyanate is C3Cl3NO2.
What is the molecular weight of Trichloroacetyl isocyanate?
The molecular weight of Trichloroacetyl isocyanate is 186.90 g/mol.
Where can I buy Trichloroacetyl isocyanate?
You can request a quote for Trichloroacetyl isocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trichloroacetyl isocyanate?
Yes, KEHONG BIO provides custom synthesis services for Trichloroacetyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.