1,4-Diisocyanato-2,3,5,6-tetramethylcyclohexane
TL;DR: 1,4-Diisocyanato-2,3,5,6-tetramethylcyclohexane (CAS 84712-83-4) is a chemical compound with molecular formula C12H18N2O2 and molecular weight 222.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-diisocyanato-2,3,5,6-tetramethylcyclohexane
Also Known As: EINECS 283-774-4, 1,4-Diisocyanato-2,3,5,6-tetramethylcyclohexane, Cyclohexane,1,4-diisocyanato-2,3,5,6-tetramethyl-, 283-774-4, RefChem:73278
| Molecular Formula | C12H18N2O2 |
|---|---|
| Molecular Weight | 222.14 g/mol |
| LogP | 1.9532 |
| Topological Polar Surface Area | 58.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.13683 |
| Heavy Atoms | 16 |
| Complexity | 292.92792 |
Chemical Identifiers
| CAS Number | 84712-83-4 |
|---|---|
| SMILES | CC1C(C(C(C(C1N=C=O)C)C)N=C=O)C |
Product Overview
1,4-Diisocyanato-2,3,5,6-tetramethylcyclohexane (CAS 84712-83-4), with molecular formula C12H18N2O2 and molecular weight 222.14 g/mol. IUPAC: 1,4-diisocyanato-2,3,5,6-tetramethylcyclohexane.
Chemical Property Profile of 1,4-Diisocyanato-2,3,5,6-tetramethylcyclohexane
Property Insights of 1,4-Diisocyanato-2,3,5,6-tetramethylcyclohexane
The XLogP value of 1.9532 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Diisocyanato-2,3,5,6-tetramethylcyclohexane. With a topological polar surface area (TPSA) of 58.86 Ų, 1,4-Diisocyanato-2,3,5,6-tetramethylcyclohexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Diisocyanato-2,3,5,6-tetramethylcyclohexane 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 1,4-Diisocyanato-2,3,5,6-tetramethylcyclohexane?
The CAS number of 1,4-Diisocyanato-2,3,5,6-tetramethylcyclohexane is 84712-83-4.
What is the molecular formula of 1,4-Diisocyanato-2,3,5,6-tetramethylcyclohexane?
The molecular formula of 1,4-Diisocyanato-2,3,5,6-tetramethylcyclohexane is C12H18N2O2.
What is the molecular weight of 1,4-Diisocyanato-2,3,5,6-tetramethylcyclohexane?
The molecular weight of 1,4-Diisocyanato-2,3,5,6-tetramethylcyclohexane is 222.14 g/mol.
Where can I buy 1,4-Diisocyanato-2,3,5,6-tetramethylcyclohexane?
You can request a quote for 1,4-Diisocyanato-2,3,5,6-tetramethylcyclohexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Diisocyanato-2,3,5,6-tetramethylcyclohexane?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Diisocyanato-2,3,5,6-tetramethylcyclohexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.