1-(trans-4-Hexylcyclohexyl)-4-isothiocyanatobenzene
TL;DR: 1-(trans-4-Hexylcyclohexyl)-4-isothiocyanatobenzene (CAS 92444-14-9) is a chemical compound with molecular formula C19H27NS and molecular weight 301.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-hexylcyclohexyl)-4-isothiocyanatobenzene
Also Known As: 1-(trans-4-Hexylcyclohexyl)-4-isothiocyanatobenzene, 6CHBT, 1-(4-hexylcyclohexyl)-4-isothiocyanatobenzene, 4-(4-Hexylcyclohexyl)phenyl isothiocyanate, [4-(4-Hexylcyclohexyl)phenyl] isothiocyanate
| Molecular Formula | C19H27NS |
|---|---|
| Molecular Weight | 301.19 g/mol |
| LogP | 6.6651 |
| Topological Polar Surface Area | 12.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 301.18643 |
| Heavy Atoms | 21 |
| Complexity | 450.95963 |
Chemical Identifiers
| CAS Number | 92444-14-9 |
|---|---|
| SMILES | CCCCCCC1CCC(CC1)C2=CC=C(C=C2)N=C=S |
Product Overview
1-(trans-4-Hexylcyclohexyl)-4-isothiocyanatobenzene (CAS 92444-14-9), with molecular formula C19H27NS and molecular weight 301.19 g/mol. IUPAC: 1-(4-hexylcyclohexyl)-4-isothiocyanatobenzene.
Chemical Property Profile of 1-(trans-4-Hexylcyclohexyl)-4-isothiocyanatobenzene
Property Insights of 1-(trans-4-Hexylcyclohexyl)-4-isothiocyanatobenzene
The XLogP value of 6.6651 indicates that 1-(trans-4-Hexylcyclohexyl)-4-isothiocyanatobenzene 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-(trans-4-Hexylcyclohexyl)-4-isothiocyanatobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(trans-4-Hexylcyclohexyl)-4-isothiocyanatobenzene 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-(trans-4-Hexylcyclohexyl)-4-isothiocyanatobenzene?
The CAS number of 1-(trans-4-Hexylcyclohexyl)-4-isothiocyanatobenzene is 92444-14-9.
What is the molecular formula of 1-(trans-4-Hexylcyclohexyl)-4-isothiocyanatobenzene?
The molecular formula of 1-(trans-4-Hexylcyclohexyl)-4-isothiocyanatobenzene is C19H27NS.
What is the molecular weight of 1-(trans-4-Hexylcyclohexyl)-4-isothiocyanatobenzene?
The molecular weight of 1-(trans-4-Hexylcyclohexyl)-4-isothiocyanatobenzene is 301.19 g/mol.
Where can I buy 1-(trans-4-Hexylcyclohexyl)-4-isothiocyanatobenzene?
You can request a quote for 1-(trans-4-Hexylcyclohexyl)-4-isothiocyanatobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(trans-4-Hexylcyclohexyl)-4-isothiocyanatobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(trans-4-Hexylcyclohexyl)-4-isothiocyanatobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.