Cyclohexane, bis(isocyanatomethyl)-
TL;DR: Cyclohexane, bis(isocyanatomethyl)- (CAS 42170-25-2) 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.
1,1-bis(isocyanatomethyl)cyclohexane
Also Known As: Bis(isocyanatomethyl)cyclohexane, Cyclohexane, bis(isocyanatomethyl)-, 1,1-bis(isocyanatomethyl)cyclohexane, bis-(isocyanatomethyl)cyclohexane, 255-693-4
| Molecular Formula | C10H14N2O2 |
|---|---|
| Molecular Weight | 194.11 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.10553 |
| Heavy Atoms | 14 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 42170-25-2 |
|---|---|
| SMILES | C1CCC(CC1)(CN=C=O)CN=C=O |
| InChIKey | QXRRAZIZHCWBQY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohexane, bis(isocyanatomethyl)- (CAS 42170-25-2), with molecular formula C10H14N2O2 and molecular weight 194.11 g/mol. IUPAC: 1,1-bis(isocyanatomethyl)cyclohexane.
Chemical Property Profile of Cyclohexane, bis(isocyanatomethyl)-
Property Insights of Cyclohexane, bis(isocyanatomethyl)-
The XLogP value of 4.0 indicates that Cyclohexane, bis(isocyanatomethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.9 Ų, Cyclohexane, bis(isocyanatomethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexane, bis(isocyanatomethyl)- 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 Cyclohexane, bis(isocyanatomethyl)-?
The CAS number of Cyclohexane, bis(isocyanatomethyl)- is 42170-25-2.
What is the molecular formula of Cyclohexane, bis(isocyanatomethyl)-?
The molecular formula of Cyclohexane, bis(isocyanatomethyl)- is C10H14N2O2.
What is the molecular weight of Cyclohexane, bis(isocyanatomethyl)-?
The molecular weight of Cyclohexane, bis(isocyanatomethyl)- is 194.11 g/mol.
Where can I buy Cyclohexane, bis(isocyanatomethyl)-?
You can request a quote for Cyclohexane, bis(isocyanatomethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexane, bis(isocyanatomethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexane, bis(isocyanatomethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.