2-(2-Anilino-2-oxoethyl)sulfanylacetate
TL;DR: 2-(2-Anilino-2-oxoethyl)sulfanylacetate (CAS 70648-87-2) is a chemical compound with molecular formula C10H10NO3S- and molecular weight 224.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-anilino-2-oxoethyl)sulfanylacetate
Also Known As: 2-(phenylcarbamoylmethylsulfanyl)acetate, 2-(2-anilino-2-oxoethyl)sulfanylacetate, 2-[(N-phenylcarbamoyl)methylthio]acetic acid, 2-[(2-Anilino-2-Oxoethyl)Sulfanyl]Acetic Acid
| Molecular Formula | C10H10NO3S- |
|---|---|
| Molecular Weight | 224.04 g/mol |
| LogP | 0.1082 |
| Topological Polar Surface Area | 69.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 224.03815 |
| Heavy Atoms | 15 |
| Complexity | 339.78055 |
Chemical Identifiers
| CAS Number | 70648-87-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)CSCC(=O)[O-] |
Product Overview
2-(2-Anilino-2-oxoethyl)sulfanylacetate (CAS 70648-87-2), with molecular formula C10H10NO3S- and molecular weight 224.04 g/mol. IUPAC: 2-(2-anilino-2-oxoethyl)sulfanylacetate.
Chemical Property Profile of 2-(2-Anilino-2-oxoethyl)sulfanylacetate
Property Insights of 2-(2-Anilino-2-oxoethyl)sulfanylacetate
The XLogP value of 0.1082 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Anilino-2-oxoethyl)sulfanylacetate. The TPSA of 69.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Anilino-2-oxoethyl)sulfanylacetate. Following Lipinski's Rule of Five, 2-(2-Anilino-2-oxoethyl)sulfanylacetate has 1 hydrogen bond donor(s) and 4 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 2-(2-Anilino-2-oxoethyl)sulfanylacetate?
The CAS number of 2-(2-Anilino-2-oxoethyl)sulfanylacetate is 70648-87-2.
What is the molecular formula of 2-(2-Anilino-2-oxoethyl)sulfanylacetate?
The molecular formula of 2-(2-Anilino-2-oxoethyl)sulfanylacetate is C10H10NO3S-.
What is the molecular weight of 2-(2-Anilino-2-oxoethyl)sulfanylacetate?
The molecular weight of 2-(2-Anilino-2-oxoethyl)sulfanylacetate is 224.04 g/mol.
Where can I buy 2-(2-Anilino-2-oxoethyl)sulfanylacetate?
You can request a quote for 2-(2-Anilino-2-oxoethyl)sulfanylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Anilino-2-oxoethyl)sulfanylacetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Anilino-2-oxoethyl)sulfanylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.