Butane-1,4-diyl bis(2-methylpropane-1-sulfonate)
TL;DR: Butane-1,4-diyl bis(2-methylpropane-1-sulfonate) (CAS 6317-77-7) is a chemical compound with molecular formula C12H26O6S2 and molecular weight 330.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-methylpropylsulfonyloxy)butyl 2-methylpropane-1-sulfonate
Also Known As: Undecyl isobutyrate, butane-1,4-diyl bis(2-methylpropane-1-sulfonate), 4-(2-methylpropylsulfonyloxy)butyl 2-methylpropane-1-sulfonate
| Molecular Formula | C12H26O6S2 |
|---|---|
| Molecular Weight | 330.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 330.1171 |
| Heavy Atoms | 20 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 6317-77-7 |
|---|---|
| SMILES | CC(C)CS(=O)(=O)OCCCCOS(=O)(=O)CC(C)C |
| InChIKey | DUMVVUFNUWWIPP-UHFFFAOYSA-N |
Product Overview
Butane-1,4-diyl bis(2-methylpropane-1-sulfonate) (CAS 6317-77-7), with molecular formula C12H26O6S2 and molecular weight 330.12 g/mol. IUPAC: 4-(2-methylpropylsulfonyloxy)butyl 2-methylpropane-1-sulfonate.
Chemical Property Profile of Butane-1,4-diyl bis(2-methylpropane-1-sulfonate)
Property Insights of Butane-1,4-diyl bis(2-methylpropane-1-sulfonate)
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butane-1,4-diyl bis(2-methylpropane-1-sulfonate). The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Butane-1,4-diyl bis(2-methylpropane-1-sulfonate). Following Lipinski's Rule of Five, Butane-1,4-diyl bis(2-methylpropane-1-sulfonate) has 0 hydrogen bond donor(s) and 6 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 Butane-1,4-diyl bis(2-methylpropane-1-sulfonate)?
The CAS number of Butane-1,4-diyl bis(2-methylpropane-1-sulfonate) is 6317-77-7.
What is the molecular formula of Butane-1,4-diyl bis(2-methylpropane-1-sulfonate)?
The molecular formula of Butane-1,4-diyl bis(2-methylpropane-1-sulfonate) is C12H26O6S2.
What is the molecular weight of Butane-1,4-diyl bis(2-methylpropane-1-sulfonate)?
The molecular weight of Butane-1,4-diyl bis(2-methylpropane-1-sulfonate) is 330.12 g/mol.
Where can I buy Butane-1,4-diyl bis(2-methylpropane-1-sulfonate)?
You can request a quote for Butane-1,4-diyl bis(2-methylpropane-1-sulfonate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butane-1,4-diyl bis(2-methylpropane-1-sulfonate)?
Yes, KEHONG BIO provides custom synthesis services for Butane-1,4-diyl bis(2-methylpropane-1-sulfonate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.