2-(1-Amino-1-oxobutan-2-yl)sulfanyl-2-phenylacetic acid
TL;DR: 2-(1-Amino-1-oxobutan-2-yl)sulfanyl-2-phenylacetic acid (CAS 100391-23-9) is a chemical compound with molecular formula C12H15NO3S and molecular weight 253.07727 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1-amino-1-oxobutan-2-yl)sulfanyl-2-phenylacetic acid
Also Known As: NCIOpen2_005181, (1-carbamoyl-propylsulfanyl)-phenyl-acetic acid, [(1-amino-1-oxobutan-2-yl)sulfanyl](phenyl)acetic acid, 2-(1-amino-1-oxobutan-2-yl)sulfanyl-2-phenylacetic acid
Technical Specifications
| Molecular Formula | C12H15NO3S |
| Molecular Weight | 253.07727 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 253.07727 Da |
| Heavy Atoms | 17 |
| Complexity | 277.0 |
| SMILES | CCC(C(=O)N)SC(C1=CC=CC=C1)C(=O)O |
| InChIKey | KZJVLZNKMHIYCB-UHFFFAOYSA-N |
Chemical Property Profile of 2-(1-Amino-1-oxobutan-2-yl)sulfanyl-2-phenylacetic acid
Property Insights of 2-(1-Amino-1-oxobutan-2-yl)sulfanyl-2-phenylacetic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-Amino-1-oxobutan-2-yl)sulfanyl-2-phenylacetic acid. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-Amino-1-oxobutan-2-yl)sulfanyl-2-phenylacetic acid. Following Lipinski's Rule of Five, 2-(1-Amino-1-oxobutan-2-yl)sulfanyl-2-phenylacetic 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
What is the CAS number of 2-(1-Amino-1-oxobutan-2-yl)sulfanyl-2-phenylacetic acid?
The CAS number of 2-(1-Amino-1-oxobutan-2-yl)sulfanyl-2-phenylacetic acid is 100391-23-9.
What is the molecular formula of 2-(1-Amino-1-oxobutan-2-yl)sulfanyl-2-phenylacetic acid?
The molecular formula of 2-(1-Amino-1-oxobutan-2-yl)sulfanyl-2-phenylacetic acid is C12H15NO3S.
What is the molecular weight of 2-(1-Amino-1-oxobutan-2-yl)sulfanyl-2-phenylacetic acid?
The molecular weight of 2-(1-Amino-1-oxobutan-2-yl)sulfanyl-2-phenylacetic acid is 253.07727 g/mol.
Where can I buy 2-(1-Amino-1-oxobutan-2-yl)sulfanyl-2-phenylacetic acid?
You can request a quote for 2-(1-Amino-1-oxobutan-2-yl)sulfanyl-2-phenylacetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(1-Amino-1-oxobutan-2-yl)sulfanyl-2-phenylacetic acid?
Yes, CoreyChem provides custom synthesis services for 2-(1-Amino-1-oxobutan-2-yl)sulfanyl-2-phenylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.