Methyl 3-(2-hydroxy-2-phenylacetyl)sulfanylpropanoate
TL;DR: Methyl 3-(2-hydroxy-2-phenylacetyl)sulfanylpropanoate (CAS 63860-18-4) is a chemical compound with molecular formula C12H14O4S and molecular weight 254.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(2-hydroxy-2-phenylacetyl)sulfanylpropanoate
Also Known As: methyl 3-(2-hydroxy-2-phenylacetyl)sulfanylpropanoate, Methyl 3-{[hydroxy(phenyl)acetyl]sulfanyl}propanoate, METHYL 3-(2-HYDROXY-2-PHENYL-ACETYL)SULFANYLPROPANOATE
| Molecular Formula | C12H14O4S |
|---|---|
| Molecular Weight | 254.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 88.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 254.06128 |
| Heavy Atoms | 17 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 63860-18-4 |
|---|---|
| SMILES | COC(=O)CCSC(=O)C(C1=CC=CC=C1)O |
| InChIKey | BYZKQZUJEKNDOE-UHFFFAOYSA-N |
Product Overview
Methyl 3-(2-hydroxy-2-phenylacetyl)sulfanylpropanoate (CAS 63860-18-4), with molecular formula C12H14O4S and molecular weight 254.06 g/mol. IUPAC: methyl 3-(2-hydroxy-2-phenylacetyl)sulfanylpropanoate.
Chemical Property Profile of Methyl 3-(2-hydroxy-2-phenylacetyl)sulfanylpropanoate
Property Insights of Methyl 3-(2-hydroxy-2-phenylacetyl)sulfanylpropanoate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(2-hydroxy-2-phenylacetyl)sulfanylpropanoate. The TPSA of 88.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(2-hydroxy-2-phenylacetyl)sulfanylpropanoate. Following Lipinski's Rule of Five, Methyl 3-(2-hydroxy-2-phenylacetyl)sulfanylpropanoate 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 Methyl 3-(2-hydroxy-2-phenylacetyl)sulfanylpropanoate?
The CAS number of Methyl 3-(2-hydroxy-2-phenylacetyl)sulfanylpropanoate is 63860-18-4.
What is the molecular formula of Methyl 3-(2-hydroxy-2-phenylacetyl)sulfanylpropanoate?
The molecular formula of Methyl 3-(2-hydroxy-2-phenylacetyl)sulfanylpropanoate is C12H14O4S.
What is the molecular weight of Methyl 3-(2-hydroxy-2-phenylacetyl)sulfanylpropanoate?
The molecular weight of Methyl 3-(2-hydroxy-2-phenylacetyl)sulfanylpropanoate is 254.06 g/mol.
Where can I buy Methyl 3-(2-hydroxy-2-phenylacetyl)sulfanylpropanoate?
You can request a quote for Methyl 3-(2-hydroxy-2-phenylacetyl)sulfanylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(2-hydroxy-2-phenylacetyl)sulfanylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(2-hydroxy-2-phenylacetyl)sulfanylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.