Cyclohexyl isocyanide
TL;DR: Cyclohexyl isocyanide (CAS 931-53-3) is a chemical compound with molecular formula C7H11N and molecular weight 109.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
isocyanocyclohexane
Also Known As: Cyclohexyl isocyanide, Isocyanocyclohexane, Cyclohexylisocyanide, Cyclohexane, isocyano-, Cyclohexaneisonitrile
| Molecular Formula | C7H11N |
|---|---|
| Molecular Weight | 109.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 4.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 109.08915 |
| Heavy Atoms | 8 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 931-53-3 |
|---|---|
| SMILES | [C-]#[N+]C1CCCCC1 |
| InChIKey | XYZMOVWWVXBHDP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohexyl isocyanide (CAS 931-53-3), with molecular formula C7H11N and molecular weight 109.09 g/mol. IUPAC: isocyanocyclohexane.
Chemical Property Profile of Cyclohexyl isocyanide
Property Insights of Cyclohexyl isocyanide
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexyl isocyanide. With a topological polar surface area (TPSA) of 4.4 Ų, Cyclohexyl isocyanide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexyl isocyanide has 0 hydrogen bond donor(s) and 1 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 Cyclohexyl isocyanide?
The CAS number of Cyclohexyl isocyanide is 931-53-3.
What is the molecular formula of Cyclohexyl isocyanide?
The molecular formula of Cyclohexyl isocyanide is C7H11N.
What is the molecular weight of Cyclohexyl isocyanide?
The molecular weight of Cyclohexyl isocyanide is 109.09 g/mol.
Where can I buy Cyclohexyl isocyanide?
You can request a quote for Cyclohexyl isocyanide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexyl isocyanide?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexyl isocyanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.