1-(2-Isocyanoethyl)cyclohexene
TL;DR: 1-(2-Isocyanoethyl)cyclohexene (CAS 172223-58-4) is a chemical compound with molecular formula C9H13N and molecular weight 135.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-isocyanoethyl)cyclohexene
Also Known As: 1-(2-isocyanoethyl)cyclohexene, 2-Cyclohexen-1-ylethylisocyanide, 1-(2-isocyanoethyl)cyclohex-1-ene, 2,4-Dichloro-3-methylaniline, 1-(2-isocyanoethyl)cyclohexane
| Molecular Formula | C9H13N |
|---|---|
| Molecular Weight | 135.10 g/mol |
| LogP | 2.79619 |
| Topological Polar Surface Area | 4.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 135.1048 |
| Heavy Atoms | 10 |
| Complexity | 162.05731 |
Chemical Identifiers
| CAS Number | 172223-58-4 |
|---|---|
| SMILES | [C-]#[N+]CCC1=CCCCC1 |
Product Overview
1-(2-Isocyanoethyl)cyclohexene (CAS 172223-58-4), with molecular formula C9H13N and molecular weight 135.10 g/mol. IUPAC: 1-(2-isocyanoethyl)cyclohexene.
Chemical Property Profile of 1-(2-Isocyanoethyl)cyclohexene
Property Insights of 1-(2-Isocyanoethyl)cyclohexene
The XLogP value of 2.79619 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Isocyanoethyl)cyclohexene. With a topological polar surface area (TPSA) of 4.36 Ų, 1-(2-Isocyanoethyl)cyclohexene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Isocyanoethyl)cyclohexene has 0 hydrogen bond donor(s) and 0 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-(2-Isocyanoethyl)cyclohexene?
The CAS number of 1-(2-Isocyanoethyl)cyclohexene is 172223-58-4.
What is the molecular formula of 1-(2-Isocyanoethyl)cyclohexene?
The molecular formula of 1-(2-Isocyanoethyl)cyclohexene is C9H13N.
What is the molecular weight of 1-(2-Isocyanoethyl)cyclohexene?
The molecular weight of 1-(2-Isocyanoethyl)cyclohexene is 135.10 g/mol.
Where can I buy 1-(2-Isocyanoethyl)cyclohexene?
You can request a quote for 1-(2-Isocyanoethyl)cyclohexene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Isocyanoethyl)cyclohexene?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Isocyanoethyl)cyclohexene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.