Decyl isocyanate
TL;DR: Decyl isocyanate (CAS 1191-69-1) is a chemical compound with molecular formula C11H21NO and molecular weight 183.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isocyanatodecane
Also Known As: Decyl isocyanate, 1-isocyanatodecane, Decane, 1-isocyanato-, isocyanatodecan, n-decylisocyanate
| Molecular Formula | C11H21NO |
|---|---|
| Molecular Weight | 183.16 g/mol |
| LogP | 3.4629 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 183.16231 |
| Heavy Atoms | 13 |
| Complexity | 139.02571 |
Chemical Identifiers
| CAS Number | 1191-69-1 |
|---|---|
| SMILES | CCCCCCCCCCN=C=O |
Product Overview
Decyl isocyanate (CAS 1191-69-1), with molecular formula C11H21NO and molecular weight 183.16 g/mol. IUPAC: 1-isocyanatodecane.
Chemical Property Profile of Decyl isocyanate
Property Insights of Decyl isocyanate
The XLogP value of 3.4629 indicates that Decyl isocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.43 Ų, Decyl isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Decyl 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 Decyl isocyanate?
The CAS number of Decyl isocyanate is 1191-69-1.
What is the molecular formula of Decyl isocyanate?
The molecular formula of Decyl isocyanate is C11H21NO.
What is the molecular weight of Decyl isocyanate?
The molecular weight of Decyl isocyanate is 183.16 g/mol.
Where can I buy Decyl isocyanate?
You can request a quote for Decyl isocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Decyl isocyanate?
Yes, KEHONG BIO provides custom synthesis services for Decyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.