Acetic acid 2-butylsulfanyl-phenyl ester
TL;DR: Acetic acid 2-butylsulfanyl-phenyl ester (CAS 210351-11-4) is a chemical compound with molecular formula C12H16O2S and molecular weight 224.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-butylsulfanylphenyl) acetate
Also Known As: (2-butylsulfanylphenyl) Acetate, 2-(butylsulfanyl)phenyl acetate, Phenol, 2-(butylthio)-, 1-acetate, Acetic acid 2-(butylthio)phenyl ester, Acetic acid 2-butylsulfanyl-phenyl ester
| Molecular Formula | C12H16O2S |
|---|---|
| Molecular Weight | 224.09 g/mol |
| LogP | 3.5041 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 224.0871 |
| Heavy Atoms | 15 |
| Complexity | 323.15308 |
Chemical Identifiers
| CAS Number | 210351-11-4 |
|---|---|
| SMILES | CCCCSC1=CC=CC=C1OC(=O)C |
Product Overview
Acetic acid 2-butylsulfanyl-phenyl ester (CAS 210351-11-4), with molecular formula C12H16O2S and molecular weight 224.09 g/mol. IUPAC: (2-butylsulfanylphenyl) acetate.
Chemical Property Profile of Acetic acid 2-butylsulfanyl-phenyl ester
Property Insights of Acetic acid 2-butylsulfanyl-phenyl ester
The XLogP value of 3.5041 indicates that Acetic acid 2-butylsulfanyl-phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Acetic acid 2-butylsulfanyl-phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid 2-butylsulfanyl-phenyl ester 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 Acetic acid 2-butylsulfanyl-phenyl ester?
The CAS number of Acetic acid 2-butylsulfanyl-phenyl ester is 210351-11-4.
What is the molecular formula of Acetic acid 2-butylsulfanyl-phenyl ester?
The molecular formula of Acetic acid 2-butylsulfanyl-phenyl ester is C12H16O2S.
What is the molecular weight of Acetic acid 2-butylsulfanyl-phenyl ester?
The molecular weight of Acetic acid 2-butylsulfanyl-phenyl ester is 224.09 g/mol.
Where can I buy Acetic acid 2-butylsulfanyl-phenyl ester?
You can request a quote for Acetic acid 2-butylsulfanyl-phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid 2-butylsulfanyl-phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid 2-butylsulfanyl-phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.