4-(7-Oxooxepan-4-yl)butyl methanesulfonate
TL;DR: 4-(7-Oxooxepan-4-yl)butyl methanesulfonate (CAS 144385-71-7) is a chemical compound with molecular formula C11H20O5S and molecular weight 264.10315 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(7-oxooxepan-4-yl)butyl methanesulfonate
Also Known As: 5-(4-methylsulfonyloxybutyl)oxepan-2-one, 2-Oxepanone, 5-[4-[(methylsulfonyl)oxy]butyl]-
Technical Specifications
| Molecular Formula | C11H20O5S |
| Molecular Weight | 264.10315 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 78.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 264.10315 Da |
| Heavy Atoms | 17 |
| Complexity | 330.0 |
| SMILES | CS(=O)(=O)OCCCCC1CCC(=O)OCC1 |
| InChIKey | BPAJHEVCMWMJES-UHFFFAOYSA-N |
Chemical Property Profile of 4-(7-Oxooxepan-4-yl)butyl methanesulfonate
Property Insights of 4-(7-Oxooxepan-4-yl)butyl methanesulfonate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(7-Oxooxepan-4-yl)butyl methanesulfonate. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(7-Oxooxepan-4-yl)butyl methanesulfonate. Following Lipinski's Rule of Five, 4-(7-Oxooxepan-4-yl)butyl methanesulfonate has 0 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-(7-Oxooxepan-4-yl)butyl methanesulfonate?
The CAS number of 4-(7-Oxooxepan-4-yl)butyl methanesulfonate is 144385-71-7.
What is the molecular formula of 4-(7-Oxooxepan-4-yl)butyl methanesulfonate?
The molecular formula of 4-(7-Oxooxepan-4-yl)butyl methanesulfonate is C11H20O5S.
What is the molecular weight of 4-(7-Oxooxepan-4-yl)butyl methanesulfonate?
The molecular weight of 4-(7-Oxooxepan-4-yl)butyl methanesulfonate is 264.10315 g/mol.
Where can I buy 4-(7-Oxooxepan-4-yl)butyl methanesulfonate?
You can request a quote for 4-(7-Oxooxepan-4-yl)butyl methanesulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(7-Oxooxepan-4-yl)butyl methanesulfonate?
Yes, CoreyChem provides custom synthesis services for 4-(7-Oxooxepan-4-yl)butyl methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.