![1-Hexyl-4-(4-isothiocyanatophenyl)bicyclo[2.2.2]octane structure](/static/products/1212/121219-38-3.webp)
1-Hexyl-4-(4-isothiocyanatophenyl)bicyclo[2.2.2]octane
TL;DR: 1-Hexyl-4-(4-isothiocyanatophenyl)bicyclo[2.2.2]octane (CAS 121219-38-3) is a chemical compound with molecular formula C21H29NS and molecular weight 327.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hexyl-4-(4-isothiocyanatophenyl)bicyclo[2.2.2]octane
Also Known As: 1-Hexyl-4-(4-isothiocyanatophenyl)bicyclo[2.2.2]octane, 1-hexyl-4-(4-isocyanatophenyl)bicyclo[2.2.2]octane, Bicyclo[2.2.2]octane,1-hexyl-4-(4-isothiocyanatophenyl)-, 1-hexyl-4-(4-isothiocyanatophenyl)bicyclo(2,2,2)octane, 1-Hexyl-4-(4-isothiocyanatophenyl)bicyclo(2.2.2)octane
| Molecular Formula | C21H29NS |
|---|---|
| Molecular Weight | 327.20 g/mol |
| LogP | 6.9833 |
| Topological Polar Surface Area | 12.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 327.20206 |
| Heavy Atoms | 23 |
| Complexity | 543.48 |
Chemical Identifiers
| CAS Number | 121219-38-3 |
|---|---|
| SMILES | CCCCCCC12CCC(CC1)(CC2)C3=CC=C(C=C3)N=C=S |
Product Overview
1-Hexyl-4-(4-isothiocyanatophenyl)bicyclo[2.2.2]octane (CAS 121219-38-3), with molecular formula C21H29NS and molecular weight 327.20 g/mol. IUPAC: 1-hexyl-4-(4-isothiocyanatophenyl)bicyclo[2.2.2]octane.
Chemical Property Profile of 1-Hexyl-4-(4-isothiocyanatophenyl)bicyclo[2.2.2]octane
Property Insights of 1-Hexyl-4-(4-isothiocyanatophenyl)bicyclo[2.2.2]octane
The XLogP value of 6.9833 indicates that 1-Hexyl-4-(4-isothiocyanatophenyl)bicyclo[2.2.2]octane 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-Hexyl-4-(4-isothiocyanatophenyl)bicyclo[2.2.2]octane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Hexyl-4-(4-isothiocyanatophenyl)bicyclo[2.2.2]octane 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-Hexyl-4-(4-isothiocyanatophenyl)bicyclo[2.2.2]octane?
The CAS number of 1-Hexyl-4-(4-isothiocyanatophenyl)bicyclo[2.2.2]octane is 121219-38-3.
What is the molecular formula of 1-Hexyl-4-(4-isothiocyanatophenyl)bicyclo[2.2.2]octane?
The molecular formula of 1-Hexyl-4-(4-isothiocyanatophenyl)bicyclo[2.2.2]octane is C21H29NS.
What is the molecular weight of 1-Hexyl-4-(4-isothiocyanatophenyl)bicyclo[2.2.2]octane?
The molecular weight of 1-Hexyl-4-(4-isothiocyanatophenyl)bicyclo[2.2.2]octane is 327.20 g/mol.
Where can I buy 1-Hexyl-4-(4-isothiocyanatophenyl)bicyclo[2.2.2]octane?
You can request a quote for 1-Hexyl-4-(4-isothiocyanatophenyl)bicyclo[2.2.2]octane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Hexyl-4-(4-isothiocyanatophenyl)bicyclo[2.2.2]octane?
Yes, KEHONG BIO provides custom synthesis services for 1-Hexyl-4-(4-isothiocyanatophenyl)bicyclo[2.2.2]octane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.