N-(methylsulfonyl)-beta-alanine
TL;DR: N-(methylsulfonyl)-beta-alanine (CAS 105612-40-6) is a chemical compound with molecular formula C4H9NO4S and molecular weight 167.02522 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(methanesulfonamido)propanoic acid
Also Known As: N-(methylsulfonyl)-beta-alanine, 3-methanesulfonamidopropanoic acid, 3-(Methylsulfonamido)propanoic acid, 3-(methanesulfonamido)propanoic acid, 3-[(methylsulfonyl)amino]propanoic acid
Technical Specifications
| Molecular Formula | C4H9NO4S |
| Molecular Weight | 167.02522 g/mol |
| XLogP | -1.2 |
| Topological Polar Surface Area (TPSA) | 91.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 167.02522 Da |
| Heavy Atoms | 10 |
| Complexity | 202.0 |
| SMILES | CS(=O)(=O)NCCC(=O)O |
| InChIKey | WWQSOJVZBSHWEE-UHFFFAOYSA-N |
Chemical Property Profile of N-(methylsulfonyl)-beta-alanine
Property Insights of N-(methylsulfonyl)-beta-alanine
The XLogP value of -1.2 indicates that N-(methylsulfonyl)-beta-alanine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(methylsulfonyl)-beta-alanine. Following Lipinski's Rule of Five, N-(methylsulfonyl)-beta-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 N-(methylsulfonyl)-beta-alanine?
The CAS number of N-(methylsulfonyl)-beta-alanine is 105612-40-6.
What is the molecular formula of N-(methylsulfonyl)-beta-alanine?
The molecular formula of N-(methylsulfonyl)-beta-alanine is C4H9NO4S.
What is the molecular weight of N-(methylsulfonyl)-beta-alanine?
The molecular weight of N-(methylsulfonyl)-beta-alanine is 167.02522 g/mol.
Where can I buy N-(methylsulfonyl)-beta-alanine?
You can request a quote for N-(methylsulfonyl)-beta-alanine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(methylsulfonyl)-beta-alanine?
Yes, CoreyChem provides custom synthesis services for N-(methylsulfonyl)-beta-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.