2,4-Diisocyanato-1-methylcyclohexane
TL;DR: 2,4-Diisocyanato-1-methylcyclohexane (CAS 10581-16-5) is a chemical compound with molecular formula C9H12N2O2 and molecular weight 180.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-diisocyanato-1-methylcyclohexane
Also Known As: 2,4-Diisocyanato-1-methylcyclohexane, hexahydrotolylene-2,4-diisocyanate, methyl-2,4-diisocyanatocyclohexane, 4-Methyl-1,3-cyclohexylenediisocyanate, Cyclohexane,2,4-diisocyanato-1-methyl-
| Molecular Formula | C9H12N2O2 |
|---|---|
| Molecular Weight | 180.09 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.08987 |
| Heavy Atoms | 13 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 10581-16-5 |
|---|---|
| SMILES | CC1CCC(CC1N=C=O)N=C=O |
| InChIKey | VZDIRINETBAVAV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Diisocyanato-1-methylcyclohexane (CAS 10581-16-5), with molecular formula C9H12N2O2 and molecular weight 180.09 g/mol. IUPAC: 2,4-diisocyanato-1-methylcyclohexane.
Chemical Property Profile of 2,4-Diisocyanato-1-methylcyclohexane
Property Insights of 2,4-Diisocyanato-1-methylcyclohexane
The XLogP value of 3.5 indicates that 2,4-Diisocyanato-1-methylcyclohexane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.9 Ų, 2,4-Diisocyanato-1-methylcyclohexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Diisocyanato-1-methylcyclohexane has 0 hydrogen bond donor(s) and 4 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 2,4-Diisocyanato-1-methylcyclohexane?
The CAS number of 2,4-Diisocyanato-1-methylcyclohexane is 10581-16-5.
What is the molecular formula of 2,4-Diisocyanato-1-methylcyclohexane?
The molecular formula of 2,4-Diisocyanato-1-methylcyclohexane is C9H12N2O2.
What is the molecular weight of 2,4-Diisocyanato-1-methylcyclohexane?
The molecular weight of 2,4-Diisocyanato-1-methylcyclohexane is 180.09 g/mol.
Where can I buy 2,4-Diisocyanato-1-methylcyclohexane?
You can request a quote for 2,4-Diisocyanato-1-methylcyclohexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Diisocyanato-1-methylcyclohexane?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Diisocyanato-1-methylcyclohexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.