RefChem:333487
TL;DR: RefChem:333487 (CAS 42754-16-5) is a chemical compound with molecular formula C23H30N2OS and molecular weight 382.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[(4-tert-butylphenyl)methyl] N-(2-cyclohexyl-3-pyridinyl)carbamothioate
Also Known As: Carbonimidothioic acid, 3-pyridinyl-, O-cyclohexyl S-((4-(1,1-dimethylethyl)phenyl)methyl) ester, O-CyclohexylS-((4- 3-pyridinylcarbonimidothioate, S-[(4-tert-butylphenyl)methyl] N-(2-cyclohexylpyridin-3-yl)carbamothioate, O-CYCLOHEXYL S-((4-(1,1-DIMETHYLETHYL)PHENYL)METHYL) PYRIDIN-3-YLCARBONIMIDOTHIOATE, S-[(4-tert-Butylphenyl)methyl] hydrogen (2-cyclohexylpyridin-3-yl)carbonimidothioate
| Molecular Formula | C23H30N2OS |
|---|---|
| Molecular Weight | 382.21 g/mol |
| LogP | 6.8921 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 382.2079 |
| Heavy Atoms | 27 |
| Complexity | 758.693 |
Chemical Identifiers
| CAS Number | 42754-16-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CSC(=O)NC2=C(N=CC=C2)C3CCCCC3 |
Product Overview
RefChem:333487 (CAS 42754-16-5), with molecular formula C23H30N2OS and molecular weight 382.21 g/mol. IUPAC: S-[(4-tert-butylphenyl)methyl] N-(2-cyclohexyl-3-pyridinyl)carbamothioate.
Chemical Property Profile of RefChem:333487
Property Insights of RefChem:333487
The XLogP value of 6.8921 indicates that RefChem:333487 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.99 Ų, RefChem:333487 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:333487 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:333487?
The CAS number of RefChem:333487 is 42754-16-5.
What is the molecular formula of RefChem:333487?
The molecular formula of RefChem:333487 is C23H30N2OS.
What is the molecular weight of RefChem:333487?
The molecular weight of RefChem:333487 is 382.21 g/mol.
Where can I buy RefChem:333487?
You can request a quote for RefChem:333487 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:333487?
Yes, KEHONG BIO provides custom synthesis services for RefChem:333487 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.