RefChem:333488
TL;DR: RefChem:333488 (CAS 42754-15-4) is a chemical compound with molecular formula C22H28N2OS and molecular weight 368.19 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-cyclopentyl-3-pyridinyl)carbamothioate
Also Known As: Carbonimidothioic acid, 3-pyridinyl-, O-cyclopentyl S-((4-(1,1-dimethylethyl)phenyl)methyl) ester, S-[(4-tert-butylphenyl)methyl] N-(2-cyclopentylpyridin-3-yl)carbamothioate, S-[(4-tert-Butylphenyl)methyl] hydrogen (2-cyclopentylpyridin-3-yl)carbonimidothioate, Carbonimidothioic acid,3-pyridinyl-, O-cyclopentyl S-[[4-(1,1-dimethylethyl)phenyl]methyl] ester (9CI), RefChem:333488
| Molecular Formula | C22H28N2OS |
|---|---|
| Molecular Weight | 368.19 g/mol |
| LogP | 6.502 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.19223 |
| Heavy Atoms | 26 |
| Complexity | 743.4827 |
Chemical Identifiers
| CAS Number | 42754-15-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CSC(=O)NC2=C(N=CC=C2)C3CCCC3 |
Product Overview
RefChem:333488 (CAS 42754-15-4), with molecular formula C22H28N2OS and molecular weight 368.19 g/mol. IUPAC: S-[(4-tert-butylphenyl)methyl] N-(2-cyclopentyl-3-pyridinyl)carbamothioate.
Chemical Property Profile of RefChem:333488
Property Insights of RefChem:333488
The XLogP value of 6.502 indicates that RefChem:333488 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:333488 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:333488 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:333488?
The CAS number of RefChem:333488 is 42754-15-4.
What is the molecular formula of RefChem:333488?
The molecular formula of RefChem:333488 is C22H28N2OS.
What is the molecular weight of RefChem:333488?
The molecular weight of RefChem:333488 is 368.19 g/mol.
Where can I buy RefChem:333488?
You can request a quote for RefChem:333488 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:333488?
Yes, KEHONG BIO provides custom synthesis services for RefChem:333488 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.