4-(Benzyloxy)butyl 4-methylbenzene-1-sulfonate
TL;DR: 4-(Benzyloxy)butyl 4-methylbenzene-1-sulfonate (CAS 126519-79-7) is a chemical compound with molecular formula C18H22O4S and molecular weight 334.12387 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-phenylmethoxybutyl 4-methylbenzenesulfonate
Also Known As: 4-(benzyloxy)butyl 4-methylbenzene-1-sulfonate, 4-phenylmethoxybutyl 4-methylbenzenesulfonate, J1.567.544F, 1-methyl-4-(4-phenylmethoxybutoxysulfonyl)benzene, TOLUENE-4-SULFONIC ACID 4-BENZYLOXY-BUTYL ESTER
Technical Specifications
| Molecular Formula | C18H22O4S |
| Molecular Weight | 334.12387 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 61.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 334.12387 Da |
| Heavy Atoms | 23 |
| Complexity | 401.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCCCCOCC2=CC=CC=C2 |
| InChIKey | BRMUZNTZRATWRJ-UHFFFAOYSA-N |
Chemical Property Profile of 4-(Benzyloxy)butyl 4-methylbenzene-1-sulfonate
Property Insights of 4-(Benzyloxy)butyl 4-methylbenzene-1-sulfonate
The XLogP value of 3.6 indicates that 4-(Benzyloxy)butyl 4-methylbenzene-1-sulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Benzyloxy)butyl 4-methylbenzene-1-sulfonate. Following Lipinski's Rule of Five, 4-(Benzyloxy)butyl 4-methylbenzene-1-sulfonate has 0 hydrogen bond donor(s) and 4 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-(Benzyloxy)butyl 4-methylbenzene-1-sulfonate?
The CAS number of 4-(Benzyloxy)butyl 4-methylbenzene-1-sulfonate is 126519-79-7.
What is the molecular formula of 4-(Benzyloxy)butyl 4-methylbenzene-1-sulfonate?
The molecular formula of 4-(Benzyloxy)butyl 4-methylbenzene-1-sulfonate is C18H22O4S.
What is the molecular weight of 4-(Benzyloxy)butyl 4-methylbenzene-1-sulfonate?
The molecular weight of 4-(Benzyloxy)butyl 4-methylbenzene-1-sulfonate is 334.12387 g/mol.
Where can I buy 4-(Benzyloxy)butyl 4-methylbenzene-1-sulfonate?
You can request a quote for 4-(Benzyloxy)butyl 4-methylbenzene-1-sulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(Benzyloxy)butyl 4-methylbenzene-1-sulfonate?
Yes, CoreyChem provides custom synthesis services for 4-(Benzyloxy)butyl 4-methylbenzene-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.