Butyl cyanate
TL;DR: Butyl cyanate (CAS 1768-24-7) is a chemical compound with molecular formula C5H9NO and molecular weight 99.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl cyanate
Also Known As: Butyl cyanate, BUTYLCYANATE, 1-Cyanatobutane, Cyansaeure-butylester, Cyanic acid, butyl ester
| Molecular Formula | C5H9NO |
|---|---|
| Molecular Weight | 99.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 99.06841 |
| Heavy Atoms | 7 |
| Complexity | 71.0 |
Chemical Identifiers
| CAS Number | 1768-24-7 |
|---|---|
| SMILES | CCCCOC#N |
| InChIKey | BUYFTHAFJHAUCZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl cyanate (CAS 1768-24-7), with molecular formula C5H9NO and molecular weight 99.07 g/mol. IUPAC: butyl cyanate.
Chemical Property Profile of Butyl cyanate
Property Insights of Butyl cyanate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl cyanate. With a topological polar surface area (TPSA) of 33.0 Ų, Butyl cyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 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 Butyl cyanate?
The CAS number of Butyl cyanate is 1768-24-7.
What is the molecular formula of Butyl cyanate?
The molecular formula of Butyl cyanate is C5H9NO.
What is the molecular weight of Butyl cyanate?
The molecular weight of Butyl cyanate is 99.07 g/mol.
Where can I buy Butyl cyanate?
You can request a quote for Butyl cyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl cyanate?
Yes, KEHONG BIO provides custom synthesis services for Butyl cyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.