![1-[4-(trans-4-Heptylcyclohexyl)phenyl]-2-[trans-4-(4-isothiocyanatophenyl)cyclohexyl]ethane structure](/static/products/1177/117736-18-2.webp)
1-[4-(trans-4-Heptylcyclohexyl)phenyl]-2-[trans-4-(4-isothiocyanatophenyl)cyclohexyl]ethane
TL;DR: 1-[4-(trans-4-Heptylcyclohexyl)phenyl]-2-[trans-4-(4-isothiocyanatophenyl)cyclohexyl]ethane (CAS 117736-18-2) is a chemical compound with molecular formula C34H47NS and molecular weight 501.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-heptylcyclohexyl)-4-[2-[4-(4-isothiocyanatophenyl)cyclohexyl]ethyl]benzene
Also Known As: 1-[4-(trans-4-Heptylcyclohexyl)phenyl]-2-[trans-4-(4-isothiocyanatophenyl)cyclohexyl]ethane, 1-(4-heptylcyclohexyl)-4-[2-[4-(4-isothiocyanatophenyl)cyclohexyl]ethyl]benzene, 1-(4-(trans-4-Heptylcyclohexyl)phenyl)-2-(trans-4-(4-isothiocyanatophenyl)cyclohexyl)ethane, 1-(4-Heptylcyclohexyl)-4-{2-[4-(4-isothiocyanatophenyl)cyclohexyl]ethyl}benzene, 1-[4-[4-[2-[4-(4-isothiocyanatophenyl)cyclohexyl]ethyl]phenyl]cyclohexyl]heptane
| Molecular Formula | C34H47NS |
|---|---|
| Molecular Weight | 501.34 g/mol |
| LogP | 10.9618 |
| Topological Polar Surface Area | 12.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 501.34293 |
| Heavy Atoms | 36 |
| Complexity | 924.1521 |
Chemical Identifiers
| CAS Number | 117736-18-2 |
|---|---|
| SMILES | CCCCCCCC1CCC(CC1)C2=CC=C(C=C2)CCC3CCC(CC3)C4=CC=C(C=C4)N=C=S |
Product Overview
1-[4-(trans-4-Heptylcyclohexyl)phenyl]-2-[trans-4-(4-isothiocyanatophenyl)cyclohexyl]ethane (CAS 117736-18-2), with molecular formula C34H47NS and molecular weight 501.34 g/mol. IUPAC: 1-(4-heptylcyclohexyl)-4-[2-[4-(4-isothiocyanatophenyl)cyclohexyl]ethyl]benzene.
Chemical Property Profile of 1-[4-(trans-4-Heptylcyclohexyl)phenyl]-2-[trans-4-(4-isothiocyanatophenyl)cyclohexyl]ethane
Property Insights of 1-[4-(trans-4-Heptylcyclohexyl)phenyl]-2-[trans-4-(4-isothiocyanatophenyl)cyclohexyl]ethane
The XLogP value of 10.9618 indicates that 1-[4-(trans-4-Heptylcyclohexyl)phenyl]-2-[trans-4-(4-isothiocyanatophenyl)cyclohexyl]ethane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.36 Ų, 1-[4-(trans-4-Heptylcyclohexyl)phenyl]-2-[trans-4-(4-isothiocyanatophenyl)cyclohexyl]ethane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[4-(trans-4-Heptylcyclohexyl)phenyl]-2-[trans-4-(4-isothiocyanatophenyl)cyclohexyl]ethane has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[4-(trans-4-Heptylcyclohexyl)phenyl]-2-[trans-4-(4-isothiocyanatophenyl)cyclohexyl]ethane?
The CAS number of 1-[4-(trans-4-Heptylcyclohexyl)phenyl]-2-[trans-4-(4-isothiocyanatophenyl)cyclohexyl]ethane is 117736-18-2.
What is the molecular formula of 1-[4-(trans-4-Heptylcyclohexyl)phenyl]-2-[trans-4-(4-isothiocyanatophenyl)cyclohexyl]ethane?
The molecular formula of 1-[4-(trans-4-Heptylcyclohexyl)phenyl]-2-[trans-4-(4-isothiocyanatophenyl)cyclohexyl]ethane is C34H47NS.
What is the molecular weight of 1-[4-(trans-4-Heptylcyclohexyl)phenyl]-2-[trans-4-(4-isothiocyanatophenyl)cyclohexyl]ethane?
The molecular weight of 1-[4-(trans-4-Heptylcyclohexyl)phenyl]-2-[trans-4-(4-isothiocyanatophenyl)cyclohexyl]ethane is 501.34 g/mol.
Where can I buy 1-[4-(trans-4-Heptylcyclohexyl)phenyl]-2-[trans-4-(4-isothiocyanatophenyl)cyclohexyl]ethane?
You can request a quote for 1-[4-(trans-4-Heptylcyclohexyl)phenyl]-2-[trans-4-(4-isothiocyanatophenyl)cyclohexyl]ethane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-(trans-4-Heptylcyclohexyl)phenyl]-2-[trans-4-(4-isothiocyanatophenyl)cyclohexyl]ethane?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(trans-4-Heptylcyclohexyl)phenyl]-2-[trans-4-(4-isothiocyanatophenyl)cyclohexyl]ethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.