![2-[(2-Amino-2-oxoethyl)sulfanyl]-2-phenylbutanoic acid structure](/static/products/1066/106622-48-4.webp)
2-[(2-Amino-2-oxoethyl)sulfanyl]-2-phenylbutanoic acid
TL;DR: 2-[(2-Amino-2-oxoethyl)sulfanyl]-2-phenylbutanoic acid (CAS 106622-48-4) is a chemical compound with molecular formula C12H15NO3S and molecular weight 253.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-amino-2-oxoethyl)sulfanyl-2-phenylbutanoic acid
Also Known As: 2-[(2-amino-2-oxoethyl)sulfanyl]-2-phenylbutanoic acid, 2-(2-amino-2-oxoethyl)sulfanyl-2-phenylbutanoic acid
| Molecular Formula | C12H15NO3S |
|---|---|
| Molecular Weight | 253.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 253.07727 |
| Heavy Atoms | 17 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 106622-48-4 |
|---|---|
| SMILES | CCC(C1=CC=CC=C1)(C(=O)O)SCC(=O)N |
| InChIKey | FKMCATXJGCKTAM-UHFFFAOYSA-N |
Product Overview
2-[(2-Amino-2-oxoethyl)sulfanyl]-2-phenylbutanoic acid (CAS 106622-48-4), with molecular formula C12H15NO3S and molecular weight 253.08 g/mol. IUPAC: 2-(2-amino-2-oxoethyl)sulfanyl-2-phenylbutanoic acid.
Chemical Property Profile of 2-[(2-Amino-2-oxoethyl)sulfanyl]-2-phenylbutanoic acid
Property Insights of 2-[(2-Amino-2-oxoethyl)sulfanyl]-2-phenylbutanoic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2-Amino-2-oxoethyl)sulfanyl]-2-phenylbutanoic acid. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-Amino-2-oxoethyl)sulfanyl]-2-phenylbutanoic acid. Following Lipinski's Rule of Five, 2-[(2-Amino-2-oxoethyl)sulfanyl]-2-phenylbutanoic acid has 2 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-Amino-2-oxoethyl)sulfanyl]-2-phenylbutanoic acid?
The CAS number of 2-[(2-Amino-2-oxoethyl)sulfanyl]-2-phenylbutanoic acid is 106622-48-4.
What is the molecular formula of 2-[(2-Amino-2-oxoethyl)sulfanyl]-2-phenylbutanoic acid?
The molecular formula of 2-[(2-Amino-2-oxoethyl)sulfanyl]-2-phenylbutanoic acid is C12H15NO3S.
What is the molecular weight of 2-[(2-Amino-2-oxoethyl)sulfanyl]-2-phenylbutanoic acid?
The molecular weight of 2-[(2-Amino-2-oxoethyl)sulfanyl]-2-phenylbutanoic acid is 253.08 g/mol.
Where can I buy 2-[(2-Amino-2-oxoethyl)sulfanyl]-2-phenylbutanoic acid?
You can request a quote for 2-[(2-Amino-2-oxoethyl)sulfanyl]-2-phenylbutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2-Amino-2-oxoethyl)sulfanyl]-2-phenylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-Amino-2-oxoethyl)sulfanyl]-2-phenylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.