Tetradecyl isocyanate
TL;DR: Tetradecyl isocyanate (CAS 4877-14-9) is a chemical compound with molecular formula C15H29NO and molecular weight 239.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isocyanatotetradecane
Also Known As: Tetradecyl isocyanate, 1-isocyanatotetradecane, tetradecylisocyanate, 1-tetradecyl isocyanate, 3-Ethylrhodanine
| Molecular Formula | C15H29NO |
|---|---|
| Molecular Weight | 239.22 g/mol |
| LogP | 5.0233 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 13 |
| Exact Mass | 239.22491 |
| Heavy Atoms | 17 |
| Complexity | 185.36084 |
Chemical Identifiers
| CAS Number | 4877-14-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCCN=C=O |
Product Overview
Tetradecyl isocyanate (CAS 4877-14-9), with molecular formula C15H29NO and molecular weight 239.22 g/mol. IUPAC: 1-isocyanatotetradecane.
Chemical Property Profile of Tetradecyl isocyanate
Property Insights of Tetradecyl isocyanate
The XLogP value of 5.0233 indicates that Tetradecyl 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, Tetradecyl isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tetradecyl 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 Tetradecyl isocyanate?
The CAS number of Tetradecyl isocyanate is 4877-14-9.
What is the molecular formula of Tetradecyl isocyanate?
The molecular formula of Tetradecyl isocyanate is C15H29NO.
What is the molecular weight of Tetradecyl isocyanate?
The molecular weight of Tetradecyl isocyanate is 239.22 g/mol.
Where can I buy Tetradecyl isocyanate?
You can request a quote for Tetradecyl isocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetradecyl isocyanate?
Yes, KEHONG BIO provides custom synthesis services for Tetradecyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.