Butane-1,4-diyl bis(3-methylbutane-1-sulfonate)
TL;DR: Butane-1,4-diyl bis(3-methylbutane-1-sulfonate) (CAS 541-81-1) is a chemical compound with molecular formula C14H30O6S2 and molecular weight 358.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-methylbutylsulfonyloxy)butyl 3-methylbutane-1-sulfonate
Also Known As: butane-1,4-diyl bis(3-methylbutane-1-sulfonate), NCI60_001900, 1-Butanesulfonic acid, tetramethylene ester, 4-(3-methylbutylsulfonyloxy)butyl 3-methylbutane-1-sulfonate, 1-Butanesulfonic acid (9CI), 1,4-butanediyl ester
| Molecular Formula | C14H30O6S2 |
|---|---|
| Molecular Weight | 358.15 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 358.14838 |
| Heavy Atoms | 22 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 541-81-1 |
|---|---|
| SMILES | CC(C)CCS(=O)(=O)OCCCCOS(=O)(=O)CCC(C)C |
| InChIKey | KEPYZDUMSFZPSX-UHFFFAOYSA-N |
Product Overview
Butane-1,4-diyl bis(3-methylbutane-1-sulfonate) (CAS 541-81-1), with molecular formula C14H30O6S2 and molecular weight 358.15 g/mol. IUPAC: 4-(3-methylbutylsulfonyloxy)butyl 3-methylbutane-1-sulfonate.
Chemical Property Profile of Butane-1,4-diyl bis(3-methylbutane-1-sulfonate)
Property Insights of Butane-1,4-diyl bis(3-methylbutane-1-sulfonate)
The XLogP value of 3.2 indicates that Butane-1,4-diyl bis(3-methylbutane-1-sulfonate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Butane-1,4-diyl bis(3-methylbutane-1-sulfonate). Following Lipinski's Rule of Five, Butane-1,4-diyl bis(3-methylbutane-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(3-methylbutane-1-sulfonate)?
The CAS number of Butane-1,4-diyl bis(3-methylbutane-1-sulfonate) is 541-81-1.
What is the molecular formula of Butane-1,4-diyl bis(3-methylbutane-1-sulfonate)?
The molecular formula of Butane-1,4-diyl bis(3-methylbutane-1-sulfonate) is C14H30O6S2.
What is the molecular weight of Butane-1,4-diyl bis(3-methylbutane-1-sulfonate)?
The molecular weight of Butane-1,4-diyl bis(3-methylbutane-1-sulfonate) is 358.15 g/mol.
Where can I buy Butane-1,4-diyl bis(3-methylbutane-1-sulfonate)?
You can request a quote for Butane-1,4-diyl bis(3-methylbutane-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(3-methylbutane-1-sulfonate)?
Yes, KEHONG BIO provides custom synthesis services for Butane-1,4-diyl bis(3-methylbutane-1-sulfonate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.