1-Isocyanato-3-(isocyanatomethyl)-1-methylcyclohexane
TL;DR: 1-Isocyanato-3-(isocyanatomethyl)-1-methylcyclohexane (CAS 93776-86-4) is a chemical compound with molecular formula C10H14N2O2 and molecular weight 194.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isocyanato-3-(isocyanatomethyl)-1-methylcyclohexane
Also Known As: EINECS 298-013-1, 1-Isocyanato-3-(isocyanatomethyl)-1-methylcyclohexane, 3-isocyanatomethyl-1-methylcyclohexyl isocyanate, 3-Methyl-3-isocyanatocyclohexylmethyl isocyanate, 1-Methyl-3-(isocyanatomethyl)cyclohexyl isocyanate
| Molecular Formula | C10H14N2O2 |
|---|---|
| Molecular Weight | 194.11 g/mol |
| LogP | 1.6069 |
| Topological Polar Surface Area | 58.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.10553 |
| Heavy Atoms | 14 |
| Complexity | 290.49713 |
Chemical Identifiers
| CAS Number | 93776-86-4 |
|---|---|
| SMILES | CC1(CCCC(C1)CN=C=O)N=C=O |
Product Overview
1-Isocyanato-3-(isocyanatomethyl)-1-methylcyclohexane (CAS 93776-86-4), with molecular formula C10H14N2O2 and molecular weight 194.11 g/mol. IUPAC: 1-isocyanato-3-(isocyanatomethyl)-1-methylcyclohexane.
Chemical Property Profile of 1-Isocyanato-3-(isocyanatomethyl)-1-methylcyclohexane
Property Insights of 1-Isocyanato-3-(isocyanatomethyl)-1-methylcyclohexane
The XLogP value of 1.6069 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Isocyanato-3-(isocyanatomethyl)-1-methylcyclohexane. With a topological polar surface area (TPSA) of 58.86 Ų, 1-Isocyanato-3-(isocyanatomethyl)-1-methylcyclohexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Isocyanato-3-(isocyanatomethyl)-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 1-Isocyanato-3-(isocyanatomethyl)-1-methylcyclohexane?
The CAS number of 1-Isocyanato-3-(isocyanatomethyl)-1-methylcyclohexane is 93776-86-4.
What is the molecular formula of 1-Isocyanato-3-(isocyanatomethyl)-1-methylcyclohexane?
The molecular formula of 1-Isocyanato-3-(isocyanatomethyl)-1-methylcyclohexane is C10H14N2O2.
What is the molecular weight of 1-Isocyanato-3-(isocyanatomethyl)-1-methylcyclohexane?
The molecular weight of 1-Isocyanato-3-(isocyanatomethyl)-1-methylcyclohexane is 194.11 g/mol.
Where can I buy 1-Isocyanato-3-(isocyanatomethyl)-1-methylcyclohexane?
You can request a quote for 1-Isocyanato-3-(isocyanatomethyl)-1-methylcyclohexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Isocyanato-3-(isocyanatomethyl)-1-methylcyclohexane?
Yes, KEHONG BIO provides custom synthesis services for 1-Isocyanato-3-(isocyanatomethyl)-1-methylcyclohexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.