Propyl cyanate
TL;DR: Propyl cyanate (CAS 1768-36-1) 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.
propyl cyanate
Also Known As: Propyl cyanate, 1-Cyanatopropane, Propyl cyanate #, Cyanic acid propyl, Cyanic acid, propyl ester
| Molecular Formula | C4H7NO |
|---|---|
| Molecular Weight | 85.05 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 85.052765 |
| Heavy Atoms | 6 |
| Complexity | 61.0 |
Chemical Identifiers
| CAS Number | 1768-36-1 |
|---|---|
| SMILES | CCCOC#N |
| InChIKey | NFQPKQCSKRLPHP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propyl cyanate (CAS 1768-36-1), with molecular formula C4H7NO and molecular weight 85.05 g/mol. IUPAC: propyl cyanate.
Chemical Property Profile of Propyl cyanate
Property Insights of Propyl cyanate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl cyanate. With a topological polar surface area (TPSA) of 33.0 Ų, Propyl cyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl 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 Propyl cyanate?
The CAS number of Propyl cyanate is 1768-36-1.
What is the molecular formula of Propyl cyanate?
The molecular formula of Propyl cyanate is C4H7NO.
What is the molecular weight of Propyl cyanate?
The molecular weight of Propyl cyanate is 85.05 g/mol.
Where can I buy Propyl cyanate?
You can request a quote for Propyl cyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl cyanate?
Yes, KEHONG BIO provides custom synthesis services for Propyl cyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.