4-Dodecylbenzenesulfonyl chloride
TL;DR: 4-Dodecylbenzenesulfonyl chloride (CAS 52499-14-6) is a chemical compound with molecular formula C18H29ClO2S and molecular weight 344.15768 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-dodecylbenzenesulfonyl chloride
Also Known As: 4-Dodecylbenzenesulfonyl chloride, p-Dodecylbenzenesulphonyl chloride, I-PROPYLISOCYANIDE, 4-dodecylbenzene-1-sulfonyl chloride, p-Dodecylbenzenesulfonyl chloride
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C18H29ClO2S |
| Molecular Weight | 344.15768 g/mol |
| XLogP | 8.2 |
| Topological Polar Surface Area (TPSA) | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 344.15768 Da |
| Heavy Atoms | 22 |
| Complexity | 354.0 |
| SMILES | CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)Cl |
| InChIKey | VLBSKIZWQATQRK-UHFFFAOYSA-N |
Chemical Property Profile of 4-Dodecylbenzenesulfonyl chloride
Property Insights of 4-Dodecylbenzenesulfonyl chloride
The XLogP value of 8.2 indicates that 4-Dodecylbenzenesulfonyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.5 Ų, 4-Dodecylbenzenesulfonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Dodecylbenzenesulfonyl chloride has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 4-Dodecylbenzenesulfonyl chloride?
The CAS number of 4-Dodecylbenzenesulfonyl chloride is 52499-14-6.
What is the molecular formula of 4-Dodecylbenzenesulfonyl chloride?
The molecular formula of 4-Dodecylbenzenesulfonyl chloride is C18H29ClO2S.
What is the molecular weight of 4-Dodecylbenzenesulfonyl chloride?
The molecular weight of 4-Dodecylbenzenesulfonyl chloride is 344.15768 g/mol.
Where can I buy 4-Dodecylbenzenesulfonyl chloride?
You can request a quote for 4-Dodecylbenzenesulfonyl chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Dodecylbenzenesulfonyl chloride?
Yes, CoreyChem provides custom synthesis services for 4-Dodecylbenzenesulfonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.