1,4-Bis(isocyanatomethyl)cyclohexane
TL;DR: 1,4-Bis(isocyanatomethyl)cyclohexane (CAS 10347-54-3) is a chemical compound with molecular formula C10H14N2O2 and molecular weight 194.10553 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,4-bis(isocyanatomethyl)cyclohexane
Also Known As: 1,4-BIS(ISOCYANATOMETHYL)CYCLOHEXANE, 1,4-Cyclohexane bis(methylisocyanate), Cyclohexane, 1,4-bis(isocyanatomethyl)-, 1,4-Bis(aminomethyl)cyclohexane diisocyanate, 1,4-Bis(methylisocyanate)cyclohexane
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H14N2O2 |
| Molecular Weight | 194.10553 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 58.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.10553 Da |
| Heavy Atoms | 14 |
| Complexity | 229.0 |
| SMILES | C1CC(CCC1CN=C=O)CN=C=O |
| InChIKey | ROHUXHMNZLHBSF-UHFFFAOYSA-N |
Chemical Property Profile of 1,4-Bis(isocyanatomethyl)cyclohexane
Property Insights of 1,4-Bis(isocyanatomethyl)cyclohexane
The XLogP value of 3.5 indicates that 1,4-Bis(isocyanatomethyl)cyclohexane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.9 Ų, 1,4-Bis(isocyanatomethyl)cyclohexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Bis(isocyanatomethyl)cyclohexane 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
What is the CAS number of 1,4-Bis(isocyanatomethyl)cyclohexane?
The CAS number of 1,4-Bis(isocyanatomethyl)cyclohexane is 10347-54-3.
What is the molecular formula of 1,4-Bis(isocyanatomethyl)cyclohexane?
The molecular formula of 1,4-Bis(isocyanatomethyl)cyclohexane is C10H14N2O2.
What is the molecular weight of 1,4-Bis(isocyanatomethyl)cyclohexane?
The molecular weight of 1,4-Bis(isocyanatomethyl)cyclohexane is 194.10553 g/mol.
Where can I buy 1,4-Bis(isocyanatomethyl)cyclohexane?
You can request a quote for 1,4-Bis(isocyanatomethyl)cyclohexane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,4-Bis(isocyanatomethyl)cyclohexane?
Yes, CoreyChem provides custom synthesis services for 1,4-Bis(isocyanatomethyl)cyclohexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.