![4-Hexyl-4'-[2-(4-isothiocyanatophenyl)ethyl]-1,1'-biphenyl structure](/static/products/1104/110499-97-3.webp)
4-Hexyl-4'-[2-(4-isothiocyanatophenyl)ethyl]-1,1'-biphenyl
TL;DR: 4-Hexyl-4'-[2-(4-isothiocyanatophenyl)ethyl]-1,1'-biphenyl (CAS 110499-97-3) is a chemical compound with molecular formula C27H29NS and molecular weight 399.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hexyl-4-[4-[2-(4-isothiocyanatophenyl)ethyl]phenyl]benzene
Also Known As: 3,5-dichloro-2,4-difluorobenzene, 4-Hexyl-4'-[2-(4-isothiocyanatophenyl)ethyl]-1,1'-biphenyl, 1-hexyl-4-[4-[2-(4-isothiocyanatophenyl)ethyl]phenyl]benzene, 1,1'-Biphenyl,4-hexyl-4'-[2-(4-isothiocyanatophenyl)ethyl]-, J1.040.325A
| Molecular Formula | C27H29NS |
|---|---|
| Molecular Weight | 399.20 g/mol |
| LogP | 7.9959 |
| Topological Polar Surface Area | 12.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 399.20206 |
| Heavy Atoms | 29 |
| Complexity | 917.7816 |
Chemical Identifiers
| CAS Number | 110499-97-3 |
|---|---|
| SMILES | CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)CCC3=CC=C(C=C3)N=C=S |
Product Overview
4-Hexyl-4'-[2-(4-isothiocyanatophenyl)ethyl]-1,1'-biphenyl (CAS 110499-97-3), with molecular formula C27H29NS and molecular weight 399.20 g/mol. IUPAC: 1-hexyl-4-[4-[2-(4-isothiocyanatophenyl)ethyl]phenyl]benzene.
Chemical Property Profile of 4-Hexyl-4'-[2-(4-isothiocyanatophenyl)ethyl]-1,1'-biphenyl
Property Insights of 4-Hexyl-4'-[2-(4-isothiocyanatophenyl)ethyl]-1,1'-biphenyl
The XLogP value of 7.9959 indicates that 4-Hexyl-4'-[2-(4-isothiocyanatophenyl)ethyl]-1,1'-biphenyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.36 Ų, 4-Hexyl-4'-[2-(4-isothiocyanatophenyl)ethyl]-1,1'-biphenyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hexyl-4'-[2-(4-isothiocyanatophenyl)ethyl]-1,1'-biphenyl 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 4-Hexyl-4'-[2-(4-isothiocyanatophenyl)ethyl]-1,1'-biphenyl?
The CAS number of 4-Hexyl-4'-[2-(4-isothiocyanatophenyl)ethyl]-1,1'-biphenyl is 110499-97-3.
What is the molecular formula of 4-Hexyl-4'-[2-(4-isothiocyanatophenyl)ethyl]-1,1'-biphenyl?
The molecular formula of 4-Hexyl-4'-[2-(4-isothiocyanatophenyl)ethyl]-1,1'-biphenyl is C27H29NS.
What is the molecular weight of 4-Hexyl-4'-[2-(4-isothiocyanatophenyl)ethyl]-1,1'-biphenyl?
The molecular weight of 4-Hexyl-4'-[2-(4-isothiocyanatophenyl)ethyl]-1,1'-biphenyl is 399.20 g/mol.
Where can I buy 4-Hexyl-4'-[2-(4-isothiocyanatophenyl)ethyl]-1,1'-biphenyl?
You can request a quote for 4-Hexyl-4'-[2-(4-isothiocyanatophenyl)ethyl]-1,1'-biphenyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hexyl-4'-[2-(4-isothiocyanatophenyl)ethyl]-1,1'-biphenyl?
Yes, KEHONG BIO provides custom synthesis services for 4-Hexyl-4'-[2-(4-isothiocyanatophenyl)ethyl]-1,1'-biphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.