Butyl 2-(2-hydroxy-2-phenylacetyl)sulfanylacetate
TL;DR: Butyl 2-(2-hydroxy-2-phenylacetyl)sulfanylacetate (CAS 63860-16-2) is a chemical compound with molecular formula C14H18O4S and molecular weight 282.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-(2-hydroxy-2-phenylacetyl)sulfanylacetate
Also Known As: butyl 2-(2-hydroxy-2-phenylacetyl)sulfanylacetate, Butyl {[hydroxy(phenyl)acetyl]sulfanyl}acetate, BUTYL 2-(2-HYDROXY-2-PHENYL-ACETYL)SULFANYLACETATE
| Molecular Formula | C14H18O4S |
|---|---|
| Molecular Weight | 282.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 88.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 282.0926 |
| Heavy Atoms | 19 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 63860-16-2 |
|---|---|
| SMILES | CCCCOC(=O)CSC(=O)C(C1=CC=CC=C1)O |
| InChIKey | CBKNHLGCYRZQQW-UHFFFAOYSA-N |
Product Overview
Butyl 2-(2-hydroxy-2-phenylacetyl)sulfanylacetate (CAS 63860-16-2), with molecular formula C14H18O4S and molecular weight 282.09 g/mol. IUPAC: butyl 2-(2-hydroxy-2-phenylacetyl)sulfanylacetate.
Chemical Property Profile of Butyl 2-(2-hydroxy-2-phenylacetyl)sulfanylacetate
Property Insights of Butyl 2-(2-hydroxy-2-phenylacetyl)sulfanylacetate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 2-(2-hydroxy-2-phenylacetyl)sulfanylacetate. The TPSA of 88.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl 2-(2-hydroxy-2-phenylacetyl)sulfanylacetate. Following Lipinski's Rule of Five, Butyl 2-(2-hydroxy-2-phenylacetyl)sulfanylacetate has 1 hydrogen bond donor(s) and 5 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 Butyl 2-(2-hydroxy-2-phenylacetyl)sulfanylacetate?
The CAS number of Butyl 2-(2-hydroxy-2-phenylacetyl)sulfanylacetate is 63860-16-2.
What is the molecular formula of Butyl 2-(2-hydroxy-2-phenylacetyl)sulfanylacetate?
The molecular formula of Butyl 2-(2-hydroxy-2-phenylacetyl)sulfanylacetate is C14H18O4S.
What is the molecular weight of Butyl 2-(2-hydroxy-2-phenylacetyl)sulfanylacetate?
The molecular weight of Butyl 2-(2-hydroxy-2-phenylacetyl)sulfanylacetate is 282.09 g/mol.
Where can I buy Butyl 2-(2-hydroxy-2-phenylacetyl)sulfanylacetate?
You can request a quote for Butyl 2-(2-hydroxy-2-phenylacetyl)sulfanylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 2-(2-hydroxy-2-phenylacetyl)sulfanylacetate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 2-(2-hydroxy-2-phenylacetyl)sulfanylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.