![Tert-butyl 2-[(4-chlorophenyl)thio]-2-methylpropanoate structure](/static/products/1751/175135-87-2.webp)
Tert-butyl 2-[(4-chlorophenyl)thio]-2-methylpropanoate
TL;DR: Tert-butyl 2-[(4-chlorophenyl)thio]-2-methylpropanoate (CAS 175135-87-2) is a chemical compound with molecular formula C14H19ClO2S and molecular weight 286.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-(4-chlorophenyl)sulfanyl-2-methylpropanoate
Also Known As: Maybridge1_001662, tert-butyl 2-[(4-chlorophenyl)thio]-2-methylpropanoate, tert-butyl 2-(4-chlorophenyl)sulfanyl-2-methylpropanoate, tert-butyl 2-[(4-chlorophenyl)sulfanyl]-2-methylpropanoate, I14-35376
| Molecular Formula | C14H19ClO2S |
|---|---|
| Molecular Weight | 286.08 g/mol |
| LogP | 4.5524 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.07944 |
| Heavy Atoms | 18 |
| Complexity | 418.41528 |
Chemical Identifiers
| CAS Number | 175135-87-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C(C)(C)SC1=CC=C(C=C1)Cl |
Product Overview
Tert-butyl 2-[(4-chlorophenyl)thio]-2-methylpropanoate (CAS 175135-87-2), with molecular formula C14H19ClO2S and molecular weight 286.08 g/mol. IUPAC: tert-butyl 2-(4-chlorophenyl)sulfanyl-2-methylpropanoate.
Chemical Property Profile of Tert-butyl 2-[(4-chlorophenyl)thio]-2-methylpropanoate
Property Insights of Tert-butyl 2-[(4-chlorophenyl)thio]-2-methylpropanoate
The XLogP value of 4.5524 indicates that Tert-butyl 2-[(4-chlorophenyl)thio]-2-methylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Tert-butyl 2-[(4-chlorophenyl)thio]-2-methylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 2-[(4-chlorophenyl)thio]-2-methylpropanoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tert-butyl 2-[(4-chlorophenyl)thio]-2-methylpropanoate?
The CAS number of Tert-butyl 2-[(4-chlorophenyl)thio]-2-methylpropanoate is 175135-87-2.
What is the molecular formula of Tert-butyl 2-[(4-chlorophenyl)thio]-2-methylpropanoate?
The molecular formula of Tert-butyl 2-[(4-chlorophenyl)thio]-2-methylpropanoate is C14H19ClO2S.
What is the molecular weight of Tert-butyl 2-[(4-chlorophenyl)thio]-2-methylpropanoate?
The molecular weight of Tert-butyl 2-[(4-chlorophenyl)thio]-2-methylpropanoate is 286.08 g/mol.
Where can I buy Tert-butyl 2-[(4-chlorophenyl)thio]-2-methylpropanoate?
You can request a quote for Tert-butyl 2-[(4-chlorophenyl)thio]-2-methylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl 2-[(4-chlorophenyl)thio]-2-methylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 2-[(4-chlorophenyl)thio]-2-methylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.