Dodecane, 1-isocyanato-
TL;DR: Dodecane, 1-isocyanato- (CAS 4202-38-4) is a chemical compound with molecular formula C13H25NO and molecular weight 211.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isocyanatododecane
Also Known As: Dodecyl isocyanate, 1-Isocyanatododecane, n-dodecylisocyanate, Dodecane, 1-isocyanato-, Dodecylisocyanate
| Molecular Formula | C13H25NO |
|---|---|
| Molecular Weight | 211.19 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 211.19362 |
| Heavy Atoms | 15 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 4202-38-4 |
|---|---|
| SMILES | CCCCCCCCCCCCN=C=O |
| InChIKey | YIDSTEJLDQMWBR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dodecane, 1-isocyanato- (CAS 4202-38-4), with molecular formula C13H25NO and molecular weight 211.19 g/mol. IUPAC: 1-isocyanatododecane.
Chemical Property Profile of Dodecane, 1-isocyanato-
Property Insights of Dodecane, 1-isocyanato-
The XLogP value of 6.6 indicates that Dodecane, 1-isocyanato- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.4 Ų, Dodecane, 1-isocyanato- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dodecane, 1-isocyanato- 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 Dodecane, 1-isocyanato-?
The CAS number of Dodecane, 1-isocyanato- is 4202-38-4.
What is the molecular formula of Dodecane, 1-isocyanato-?
The molecular formula of Dodecane, 1-isocyanato- is C13H25NO.
What is the molecular weight of Dodecane, 1-isocyanato-?
The molecular weight of Dodecane, 1-isocyanato- is 211.19 g/mol.
Where can I buy Dodecane, 1-isocyanato-?
You can request a quote for Dodecane, 1-isocyanato- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dodecane, 1-isocyanato-?
Yes, KEHONG BIO provides custom synthesis services for Dodecane, 1-isocyanato- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.