4-Methanesulfonyloxybutanol
TL;DR: 4-Methanesulfonyloxybutanol (CAS 42729-95-3) is a chemical compound with molecular formula C5H12O4S and molecular weight 168.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxybutyl methanesulfonate
Also Known As: 4-Hydroxybutyl methanesulfonate, 4-Methanesulfonyloxybutanol, Busulfan Impurity 4, Busulfan Impurity 9, 1, monomethanesulfonate
| Molecular Formula | C5H12O4S |
|---|---|
| Molecular Weight | 168.05 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 72.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 168.04562 |
| Heavy Atoms | 10 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 42729-95-3 |
|---|---|
| SMILES | CS(=O)(=O)OCCCCO |
| InChIKey | GGASLDTWAZHIGF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methanesulfonyloxybutanol (CAS 42729-95-3), with molecular formula C5H12O4S and molecular weight 168.05 g/mol. IUPAC: 4-hydroxybutyl methanesulfonate.
Chemical Property Profile of 4-Methanesulfonyloxybutanol
Property Insights of 4-Methanesulfonyloxybutanol
The XLogP value of -0.6 indicates that 4-Methanesulfonyloxybutanol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 72.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methanesulfonyloxybutanol. Following Lipinski's Rule of Five, 4-Methanesulfonyloxybutanol has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Methanesulfonyloxybutanol?
The CAS number of 4-Methanesulfonyloxybutanol is 42729-95-3.
What is the molecular formula of 4-Methanesulfonyloxybutanol?
The molecular formula of 4-Methanesulfonyloxybutanol is C5H12O4S.
What is the molecular weight of 4-Methanesulfonyloxybutanol?
The molecular weight of 4-Methanesulfonyloxybutanol is 168.05 g/mol.
Where can I buy 4-Methanesulfonyloxybutanol?
You can request a quote for 4-Methanesulfonyloxybutanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methanesulfonyloxybutanol?
Yes, KEHONG BIO provides custom synthesis services for 4-Methanesulfonyloxybutanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.