Undecyl isocyanate
TL;DR: Undecyl isocyanate (CAS 2411-58-7) is a chemical compound with molecular formula C12H23NO and molecular weight 197.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isocyanatoundecane
Also Known As: Undecyl isocyanate, 1-isocyanatoundecane, Undecylisocyanate, undecylisocyanat, Undecane, 1-isocyanato-
| Molecular Formula | C12H23NO |
|---|---|
| Molecular Weight | 197.18 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 197.17796 |
| Heavy Atoms | 14 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 2411-58-7 |
|---|---|
| SMILES | CCCCCCCCCCCN=C=O |
| InChIKey | JXAYHHMVMJVFPQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Undecyl isocyanate (CAS 2411-58-7), with molecular formula C12H23NO and molecular weight 197.18 g/mol. IUPAC: 1-isocyanatoundecane.
Chemical Property Profile of Undecyl isocyanate
Property Insights of Undecyl isocyanate
The XLogP value of 6.0 indicates that Undecyl isocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.4 Ų, Undecyl isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Undecyl isocyanate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Undecyl isocyanate?
The CAS number of Undecyl isocyanate is 2411-58-7.
What is the molecular formula of Undecyl isocyanate?
The molecular formula of Undecyl isocyanate is C12H23NO.
What is the molecular weight of Undecyl isocyanate?
The molecular weight of Undecyl isocyanate is 197.18 g/mol.
Where can I buy Undecyl isocyanate?
You can request a quote for Undecyl isocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Undecyl isocyanate?
Yes, KEHONG BIO provides custom synthesis services for Undecyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.