Decamethylene diisocyanate
TL;DR: Decamethylene diisocyanate (CAS 4538-39-0) is a chemical compound with molecular formula C12H20N2O2 and molecular weight 224.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,10-diisocyanatodecane
Also Known As: Decamethylene diisocyanate, 1,10-diisocyanatodecane, decamethylenediisocyanate, Decane, 1,10-diisocyanato-, decane-1,10-diyl diisocyanate
| Molecular Formula | C12H20N2O2 |
|---|---|
| Molecular Weight | 224.15 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 224.15248 |
| Heavy Atoms | 16 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 4538-39-0 |
|---|---|
| SMILES | C(CCCCCN=C=O)CCCCN=C=O |
| InChIKey | VNMOIBZLSJDQEO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Decamethylene diisocyanate (CAS 4538-39-0), with molecular formula C12H20N2O2 and molecular weight 224.15 g/mol. IUPAC: 1,10-diisocyanatodecane.
Chemical Property Profile of Decamethylene diisocyanate
Property Insights of Decamethylene diisocyanate
The XLogP value of 5.4 indicates that Decamethylene diisocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.9 Ų, Decamethylene diisocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Decamethylene diisocyanate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Decamethylene diisocyanate?
The CAS number of Decamethylene diisocyanate is 4538-39-0.
What is the molecular formula of Decamethylene diisocyanate?
The molecular formula of Decamethylene diisocyanate is C12H20N2O2.
What is the molecular weight of Decamethylene diisocyanate?
The molecular weight of Decamethylene diisocyanate is 224.15 g/mol.
Where can I buy Decamethylene diisocyanate?
You can request a quote for Decamethylene diisocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Decamethylene diisocyanate?
Yes, KEHONG BIO provides custom synthesis services for Decamethylene diisocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.