(2S)-2-(3,4-Dimethylbenzenesulfonamido)propanoic acid
TL;DR: (2S)-2-(3,4-Dimethylbenzenesulfonamido)propanoic acid (CAS 1212214-16-8) is a chemical compound with molecular formula C11H15NO4S and molecular weight 257.07217 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[(3,4-dimethylphenyl)sulfonylamino]propanoic acid
Also Known As: ((3,4-Dimethylphenyl)sulfonyl)-l-alanine, (2S)-2-(3,4-DIMETHYLBENZENESULFONAMIDO)PROPANOIC ACID, (2S)-2-{[(3,4-dimethylphenyl)sulfonyl]amino}propanoic acid, 2-[(3,4-dimethylphenyl)sulfonylamino]propanoic Acid, (2S)-2-[(3,4-dimethylphenyl)sulfonylamino]propanoic acid
Technical Specifications
| Molecular Formula | C11H15NO4S |
| Molecular Weight | 257.07217 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 91.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 257.07217 Da |
| Heavy Atoms | 17 |
| Complexity | 373.0 |
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)N[C@@H](C)C(=O)O)C |
| InChIKey | WXVOUJHWGQVTLJ-VIFPVBQESA-N |
Chemical Property Profile of (2S)-2-(3,4-Dimethylbenzenesulfonamido)propanoic acid
Property Insights of (2S)-2-(3,4-Dimethylbenzenesulfonamido)propanoic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-(3,4-Dimethylbenzenesulfonamido)propanoic acid. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-2-(3,4-Dimethylbenzenesulfonamido)propanoic acid. Following Lipinski's Rule of Five, (2S)-2-(3,4-Dimethylbenzenesulfonamido)propanoic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (2S)-2-(3,4-Dimethylbenzenesulfonamido)propanoic acid?
The CAS number of (2S)-2-(3,4-Dimethylbenzenesulfonamido)propanoic acid is 1212214-16-8.
What is the molecular formula of (2S)-2-(3,4-Dimethylbenzenesulfonamido)propanoic acid?
The molecular formula of (2S)-2-(3,4-Dimethylbenzenesulfonamido)propanoic acid is C11H15NO4S.
What is the molecular weight of (2S)-2-(3,4-Dimethylbenzenesulfonamido)propanoic acid?
The molecular weight of (2S)-2-(3,4-Dimethylbenzenesulfonamido)propanoic acid is 257.07217 g/mol.
Where can I buy (2S)-2-(3,4-Dimethylbenzenesulfonamido)propanoic acid?
You can request a quote for (2S)-2-(3,4-Dimethylbenzenesulfonamido)propanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2S)-2-(3,4-Dimethylbenzenesulfonamido)propanoic acid?
Yes, CoreyChem provides custom synthesis services for (2S)-2-(3,4-Dimethylbenzenesulfonamido)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.