2-Methoxybutyl P-toluenesulfonate
TL;DR: 2-Methoxybutyl P-toluenesulfonate (CAS 55524-92-0) is a chemical compound with molecular formula C12H18O4S and molecular weight 258.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxybutyl 4-methylbenzenesulfonate
Also Known As: 1-(tosyloxy)-3-methoxybutane, 3-methoxybutyl 4-methylbenzene-1-sulfonate, 3-Methoxybutyl-p-toluenesulfonate, 2-METHOXYBUTYL P-TOLUENESULFONATE, 3-methoxybutyl 4-methylbenzenesulfonate
| Molecular Formula | C12H18O4S |
|---|---|
| Molecular Weight | 258.09 g/mol |
| LogP | 2.12532 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 258.0926 |
| Heavy Atoms | 17 |
| Complexity | 436.07837 |
Chemical Identifiers
| CAS Number | 55524-92-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCCC(C)OC |
Product Overview
2-Methoxybutyl P-toluenesulfonate (CAS 55524-92-0), with molecular formula C12H18O4S and molecular weight 258.09 g/mol. IUPAC: 3-methoxybutyl 4-methylbenzenesulfonate.
Chemical Property Profile of 2-Methoxybutyl P-toluenesulfonate
Property Insights of 2-Methoxybutyl P-toluenesulfonate
The XLogP value of 2.12532 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methoxybutyl P-toluenesulfonate. With a topological polar surface area (TPSA) of 52.6 Ų, 2-Methoxybutyl P-toluenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methoxybutyl P-toluenesulfonate 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
Frequently Asked Questions
What is the CAS number of 2-Methoxybutyl P-toluenesulfonate?
The CAS number of 2-Methoxybutyl P-toluenesulfonate is 55524-92-0.
What is the molecular formula of 2-Methoxybutyl P-toluenesulfonate?
The molecular formula of 2-Methoxybutyl P-toluenesulfonate is C12H18O4S.
What is the molecular weight of 2-Methoxybutyl P-toluenesulfonate?
The molecular weight of 2-Methoxybutyl P-toluenesulfonate is 258.09 g/mol.
Where can I buy 2-Methoxybutyl P-toluenesulfonate?
You can request a quote for 2-Methoxybutyl P-toluenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methoxybutyl P-toluenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methoxybutyl P-toluenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.