![1-(4-Hexylcyclohexyl)-4-[2-(4-isothiocyanatophenyl)ethyl]benzene structure](/static/products/1104/110499-95-1.webp)
1-(4-Hexylcyclohexyl)-4-[2-(4-isothiocyanatophenyl)ethyl]benzene
TL;DR: 1-(4-Hexylcyclohexyl)-4-[2-(4-isothiocyanatophenyl)ethyl]benzene (CAS 110499-95-1) is a chemical compound with molecular formula C27H35NS and molecular weight 405.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-hexylcyclohexyl)-4-[2-(4-isothiocyanatophenyl)ethyl]benzene
Also Known As: 1-(4-hexylcyclohexyl)-4-[2-(4-isothiocyanatophenyl)ethyl]benzene, J2.118.775E, 4-[4-(4-Hexylcyclohexyl)phenethyl]phenyl isothiocyanate, 1-(4-trans-Hexylcyclohexyl)-4-[2-(4-isothiocyanatophenyl)ethyl]benzene
| Molecular Formula | C27H35NS |
|---|---|
| Molecular Weight | 405.25 g/mol |
| LogP | 8.4503 |
| Topological Polar Surface Area | 12.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 405.24902 |
| Heavy Atoms | 29 |
| Complexity | 763.19 |
Chemical Identifiers
| CAS Number | 110499-95-1 |
|---|---|
| SMILES | CCCCCCC1CCC(CC1)C2=CC=C(C=C2)CCC3=CC=C(C=C3)N=C=S |
Product Overview
1-(4-Hexylcyclohexyl)-4-[2-(4-isothiocyanatophenyl)ethyl]benzene (CAS 110499-95-1), with molecular formula C27H35NS and molecular weight 405.25 g/mol. IUPAC: 1-(4-hexylcyclohexyl)-4-[2-(4-isothiocyanatophenyl)ethyl]benzene.
Chemical Property Profile of 1-(4-Hexylcyclohexyl)-4-[2-(4-isothiocyanatophenyl)ethyl]benzene
Property Insights of 1-(4-Hexylcyclohexyl)-4-[2-(4-isothiocyanatophenyl)ethyl]benzene
The XLogP value of 8.4503 indicates that 1-(4-Hexylcyclohexyl)-4-[2-(4-isothiocyanatophenyl)ethyl]benzene 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-Hexylcyclohexyl)-4-[2-(4-isothiocyanatophenyl)ethyl]benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Hexylcyclohexyl)-4-[2-(4-isothiocyanatophenyl)ethyl]benzene 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-Hexylcyclohexyl)-4-[2-(4-isothiocyanatophenyl)ethyl]benzene?
The CAS number of 1-(4-Hexylcyclohexyl)-4-[2-(4-isothiocyanatophenyl)ethyl]benzene is 110499-95-1.
What is the molecular formula of 1-(4-Hexylcyclohexyl)-4-[2-(4-isothiocyanatophenyl)ethyl]benzene?
The molecular formula of 1-(4-Hexylcyclohexyl)-4-[2-(4-isothiocyanatophenyl)ethyl]benzene is C27H35NS.
What is the molecular weight of 1-(4-Hexylcyclohexyl)-4-[2-(4-isothiocyanatophenyl)ethyl]benzene?
The molecular weight of 1-(4-Hexylcyclohexyl)-4-[2-(4-isothiocyanatophenyl)ethyl]benzene is 405.25 g/mol.
Where can I buy 1-(4-Hexylcyclohexyl)-4-[2-(4-isothiocyanatophenyl)ethyl]benzene?
You can request a quote for 1-(4-Hexylcyclohexyl)-4-[2-(4-isothiocyanatophenyl)ethyl]benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Hexylcyclohexyl)-4-[2-(4-isothiocyanatophenyl)ethyl]benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Hexylcyclohexyl)-4-[2-(4-isothiocyanatophenyl)ethyl]benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.