((4-(Tert-butyl)phenyl)sulfonyl)alanine
TL;DR: ((4-(Tert-butyl)phenyl)sulfonyl)alanine (CAS 159855-98-8) is a chemical compound with molecular formula C13H19NO4S and molecular weight 285.1035 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[(4-tert-butylphenyl)sulfonylamino]propanoic acid
Also Known As: ((4-(tert-butyl)phenyl)sulfonyl)alanine, HY-W030323, L-Alanine, N-[[4-(1,1-dimethylethyl)phenyl]sulfonyl]-, (2S)-2-(4-TERT-BUTYLBENZENESULFONAMIDO)PROPANOIC ACID, 2-[(4-tert-butylphenyl)sulfonylamino]propanoic Acid
Technical Specifications
| Molecular Formula | C13H19NO4S |
| Molecular Weight | 285.1035 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 91.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 285.1035 Da |
| Heavy Atoms | 19 |
| Complexity | 411.0 |
| SMILES | C[C@@H](C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C(C)(C)C |
| InChIKey | PEGZKAPFHJHBPG-VIFPVBQESA-N |
Chemical Property Profile of ((4-(Tert-butyl)phenyl)sulfonyl)alanine
Property Insights of ((4-(Tert-butyl)phenyl)sulfonyl)alanine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ((4-(Tert-butyl)phenyl)sulfonyl)alanine. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for ((4-(Tert-butyl)phenyl)sulfonyl)alanine. Following Lipinski's Rule of Five, ((4-(Tert-butyl)phenyl)sulfonyl)alanine 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 ((4-(Tert-butyl)phenyl)sulfonyl)alanine?
The CAS number of ((4-(Tert-butyl)phenyl)sulfonyl)alanine is 159855-98-8.
What is the molecular formula of ((4-(Tert-butyl)phenyl)sulfonyl)alanine?
The molecular formula of ((4-(Tert-butyl)phenyl)sulfonyl)alanine is C13H19NO4S.
What is the molecular weight of ((4-(Tert-butyl)phenyl)sulfonyl)alanine?
The molecular weight of ((4-(Tert-butyl)phenyl)sulfonyl)alanine is 285.1035 g/mol.
Where can I buy ((4-(Tert-butyl)phenyl)sulfonyl)alanine?
You can request a quote for ((4-(Tert-butyl)phenyl)sulfonyl)alanine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ((4-(Tert-butyl)phenyl)sulfonyl)alanine?
Yes, CoreyChem provides custom synthesis services for ((4-(Tert-butyl)phenyl)sulfonyl)alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.