Butanoyl chloride, 2-(hexadecylsulfonyl)-3-methyl-
TL;DR: Butanoyl chloride, 2-(hexadecylsulfonyl)-3-methyl- (CAS 125331-93-3) is a chemical compound with molecular formula C21H41ClO3S and molecular weight 408.2465 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hexadecylsulfonyl-3-methylbutanoyl chloride
Also Known As: Butanoyl chloride, 2-(hexadecylsulfonyl)-3-methyl-, 2-hexadecylsulfonyl-3-methylbutanoyl chloride, J1.563.163E, 2-(hexadecylsulfonyl)-3-methylbutanoyl chloride, 2-(HEXADECANE-1-SULFONYL)-3-METHYLBUTANOYL CHLORIDE
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C21H41ClO3S |
| Molecular Weight | 408.2465 g/mol |
| XLogP | 9.3 |
| Topological Polar Surface Area (TPSA) | 59.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 18 |
| Exact Mass | 408.2465 Da |
| Heavy Atoms | 26 |
| Complexity | 441.0 |
| SMILES | CCCCCCCCCCCCCCCCS(=O)(=O)C(C(C)C)C(=O)Cl |
| InChIKey | YFLUGXCGZHNLKM-UHFFFAOYSA-N |
Chemical Property Profile of Butanoyl chloride, 2-(hexadecylsulfonyl)-3-methyl-
Property Insights of Butanoyl chloride, 2-(hexadecylsulfonyl)-3-methyl-
The XLogP value of 9.3 indicates that Butanoyl chloride, 2-(hexadecylsulfonyl)-3-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.6 Ų, Butanoyl chloride, 2-(hexadecylsulfonyl)-3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanoyl chloride, 2-(hexadecylsulfonyl)-3-methyl- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Butanoyl chloride, 2-(hexadecylsulfonyl)-3-methyl-?
The CAS number of Butanoyl chloride, 2-(hexadecylsulfonyl)-3-methyl- is 125331-93-3.
What is the molecular formula of Butanoyl chloride, 2-(hexadecylsulfonyl)-3-methyl-?
The molecular formula of Butanoyl chloride, 2-(hexadecylsulfonyl)-3-methyl- is C21H41ClO3S.
What is the molecular weight of Butanoyl chloride, 2-(hexadecylsulfonyl)-3-methyl-?
The molecular weight of Butanoyl chloride, 2-(hexadecylsulfonyl)-3-methyl- is 408.2465 g/mol.
Where can I buy Butanoyl chloride, 2-(hexadecylsulfonyl)-3-methyl-?
You can request a quote for Butanoyl chloride, 2-(hexadecylsulfonyl)-3-methyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butanoyl chloride, 2-(hexadecylsulfonyl)-3-methyl-?
Yes, CoreyChem provides custom synthesis services for Butanoyl chloride, 2-(hexadecylsulfonyl)-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.