Isopropyl cyanate
TL;DR: Isopropyl cyanate (CAS 1768-37-2) is a chemical compound with molecular formula C4H7NO and molecular weight 85.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl cyanate
Also Known As: Isopropyl cyanate, propan-2-yl cyanate, Isopropylcyanat, 2-Cyanatopropane, Propane, 2-cyanato-
| Molecular Formula | C4H7NO |
|---|---|
| Molecular Weight | 85.05 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 85.052765 |
| Heavy Atoms | 6 |
| Complexity | 68.0 |
Chemical Identifiers
| CAS Number | 1768-37-2 |
|---|---|
| SMILES | CC(C)OC#N |
| InChIKey | WHULDTBQXVKIHX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopropyl cyanate (CAS 1768-37-2), with molecular formula C4H7NO and molecular weight 85.05 g/mol. IUPAC: propan-2-yl cyanate.
Chemical Property Profile of Isopropyl cyanate
Property Insights of Isopropyl cyanate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl cyanate. With a topological polar surface area (TPSA) of 33.0 Ų, Isopropyl cyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl cyanate 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 Isopropyl cyanate?
The CAS number of Isopropyl cyanate is 1768-37-2.
What is the molecular formula of Isopropyl cyanate?
The molecular formula of Isopropyl cyanate is C4H7NO.
What is the molecular weight of Isopropyl cyanate?
The molecular weight of Isopropyl cyanate is 85.05 g/mol.
Where can I buy Isopropyl cyanate?
You can request a quote for Isopropyl cyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl cyanate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl cyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.