Cyclododecyl isocyanate
TL;DR: Cyclododecyl isocyanate (CAS 480439-08-5) is a chemical compound with molecular formula C13H23NO and molecular weight 209.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
isocyanatocyclododecane
Also Known As: Cyclododecyl isocyanate, Isocyanatocyclododecane, CYCLODODECYLISOCYANATE97, Cyclododecane, isocyanato- (9CI), CYCLODODECYL ISOCYANATE, 97%
| Molecular Formula | C13H23NO |
|---|---|
| Molecular Weight | 209.18 g/mol |
| LogP | 3.9955 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 209.17796 |
| Heavy Atoms | 15 |
| Complexity | 184.71263 |
Chemical Identifiers
| CAS Number | 480439-08-5 |
|---|---|
| SMILES | C1CCCCCC(CCCCC1)N=C=O |
Product Overview
Cyclododecyl isocyanate (CAS 480439-08-5), with molecular formula C13H23NO and molecular weight 209.18 g/mol. IUPAC: isocyanatocyclododecane.
Chemical Property Profile of Cyclododecyl isocyanate
Property Insights of Cyclododecyl isocyanate
The XLogP value of 3.9955 indicates that Cyclododecyl 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, Cyclododecyl isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclododecyl 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 Cyclododecyl isocyanate?
The CAS number of Cyclododecyl isocyanate is 480439-08-5.
What is the molecular formula of Cyclododecyl isocyanate?
The molecular formula of Cyclododecyl isocyanate is C13H23NO.
What is the molecular weight of Cyclododecyl isocyanate?
The molecular weight of Cyclododecyl isocyanate is 209.18 g/mol.
Where can I buy Cyclododecyl isocyanate?
You can request a quote for Cyclododecyl isocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclododecyl isocyanate?
Yes, KEHONG BIO provides custom synthesis services for Cyclododecyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.