Propyl isocyanate
TL;DR: Propyl isocyanate (CAS 110-78-1) 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.
1-isocyanatopropane
Also Known As: Propyl isocyanate, 1-Isocyanatopropane, n-Propyl isocyanate, Propylisocyanate, 1-Propyl isocyanate
| Molecular Formula | C4H7NO |
|---|---|
| Molecular Weight | 85.05 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 85.052765 |
| Heavy Atoms | 6 |
| Complexity | 63.0 |
Chemical Identifiers
| CAS Number | 110-78-1 |
|---|---|
| SMILES | CCCN=C=O |
| InChIKey | OQURWGJAWSLGQG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propyl isocyanate (CAS 110-78-1), with molecular formula C4H7NO and molecular weight 85.05 g/mol. IUPAC: 1-isocyanatopropane.
Chemical Property Profile of Propyl isocyanate
Property Insights of Propyl isocyanate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl isocyanate. With a topological polar surface area (TPSA) of 29.4 Ų, Propyl isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl 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 Propyl isocyanate?
The CAS number of Propyl isocyanate is 110-78-1.
What is the molecular formula of Propyl isocyanate?
The molecular formula of Propyl isocyanate is C4H7NO.
What is the molecular weight of Propyl isocyanate?
The molecular weight of Propyl isocyanate is 85.05 g/mol.
Where can I buy Propyl isocyanate?
You can request a quote for Propyl isocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl isocyanate?
Yes, KEHONG BIO provides custom synthesis services for Propyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.