Cyclohexyl 4-(1,1-(dimethylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate
TL;DR: Cyclohexyl 4-(1,1-(dimethylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate (CAS 42754-23-4) is a chemical compound with molecular formula C23H30N2S2 and molecular weight 398.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-tert-butylphenyl)methylsulfanyl]-1-cyclohexylsulfanyl-N-pyridin-3-ylmethanimine
Also Known As: 1-bromo-pentan-3-one, Cyclohexyl 4-(1,1-(dimethylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate, Carbonimidodithioic acid, 3-pyridinyl-, cyclohexyl 4-(1,1-(dimethylethyl)phenyl)methyl ester, 1-[(4-tert-butylphenyl)methylsulfanyl]-1-cyclohexylsulfanyl-N-pyridin-3-ylmethanimine
| Molecular Formula | C23H30N2S2 |
|---|---|
| Molecular Weight | 398.19 g/mol |
| LogP | 7.3659 |
| Topological Polar Surface Area | 25.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.18503 |
| Heavy Atoms | 27 |
| Complexity | 727.2237 |
Chemical Identifiers
| CAS Number | 42754-23-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CSC(=NC2=CN=CC=C2)SC3CCCCC3 |
Product Overview
Cyclohexyl 4-(1,1-(dimethylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate (CAS 42754-23-4), with molecular formula C23H30N2S2 and molecular weight 398.19 g/mol. IUPAC: 1-[(4-tert-butylphenyl)methylsulfanyl]-1-cyclohexylsulfanyl-N-pyridin-3-ylmethanimine.
Chemical Property Profile of Cyclohexyl 4-(1,1-(dimethylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate
Property Insights of Cyclohexyl 4-(1,1-(dimethylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate
The XLogP value of 7.3659 indicates that Cyclohexyl 4-(1,1-(dimethylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.25 Ų, Cyclohexyl 4-(1,1-(dimethylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexyl 4-(1,1-(dimethylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cyclohexyl 4-(1,1-(dimethylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate?
The CAS number of Cyclohexyl 4-(1,1-(dimethylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate is 42754-23-4.
What is the molecular formula of Cyclohexyl 4-(1,1-(dimethylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate?
The molecular formula of Cyclohexyl 4-(1,1-(dimethylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate is C23H30N2S2.
What is the molecular weight of Cyclohexyl 4-(1,1-(dimethylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate?
The molecular weight of Cyclohexyl 4-(1,1-(dimethylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate is 398.19 g/mol.
Where can I buy Cyclohexyl 4-(1,1-(dimethylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate?
You can request a quote for Cyclohexyl 4-(1,1-(dimethylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexyl 4-(1,1-(dimethylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexyl 4-(1,1-(dimethylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.