Bromine isocyanate
TL;DR: Bromine isocyanate (CAS 3644-72-2) is a chemical compound with molecular formula CBrNO and molecular weight 120.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bromoimino(oxo)methane
Also Known As: Bromine isocyanate, bromoimino(oxo)methane, N-(Oxomethylidene)hypobromous amide, RefChem:121519
| Molecular Formula | CBrNO |
|---|---|
| Molecular Weight | 120.92 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 120.91633 |
| Heavy Atoms | 4 |
| Complexity | 46.0 |
Chemical Identifiers
| CAS Number | 3644-72-2 |
|---|---|
| SMILES | C(=NBr)=O |
| InChIKey | MLJXWZIVGBBOQZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bromine isocyanate (CAS 3644-72-2), with molecular formula CBrNO and molecular weight 120.92 g/mol. IUPAC: bromoimino(oxo)methane.
Chemical Property Profile of Bromine isocyanate
Property Insights of Bromine isocyanate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bromine isocyanate. With a topological polar surface area (TPSA) of 29.4 Ų, Bromine isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bromine 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 Bromine isocyanate?
The CAS number of Bromine isocyanate is 3644-72-2.
What is the molecular formula of Bromine isocyanate?
The molecular formula of Bromine isocyanate is CBrNO.
What is the molecular weight of Bromine isocyanate?
The molecular weight of Bromine isocyanate is 120.92 g/mol.
Where can I buy Bromine isocyanate?
You can request a quote for Bromine isocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bromine isocyanate?
Yes, KEHONG BIO provides custom synthesis services for Bromine isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.