1,4-亚丁基双(4-氟苯磺酸盐)
TL;DR: 1,4-亚丁基双(4-氟苯磺酸盐) (CAS 91969-06-1) is a chemical compound with molecular formula C16H16F2O6S2 and molecular weight 406.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-亚丁基双(4-氟苯磺酸盐)
4-(4-fluorophenyl)sulfonyloxybutyl 4-fluorobenzenesulfonate
Also Known As: butane-1,4-diyl bis(4-fluorobenzenesulfonate), 4-(4-fluorophenyl)sulfonyloxybutyl 4-fluorobenzenesulfonate, Butane-1,4-diyl bis(4-fluorobenzene-1-sulfonate)
| Molecular Formula | C16H16F2O6S2 |
|---|---|
| Molecular Weight | 406.04 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 406.03564 |
| Heavy Atoms | 26 |
| Complexity | 554.0 |
Chemical Identifiers
| CAS Number | 91969-06-1 |
|---|---|
| SMILES | C1=CC(=CC=C1F)S(=O)(=O)OCCCCOS(=O)(=O)C2=CC=C(C=C2)F |
| InChIKey | PFGZKJOAFSXUKT-UHFFFAOYSA-N |
Product Overview
1,4-亚丁基双(4-氟苯磺酸盐) (CAS 91969-06-1), with molecular formula C16H16F2O6S2 and molecular weight 406.04 g/mol. IUPAC: 4-(4-fluorophenyl)sulfonyloxybutyl 4-fluorobenzenesulfonate.
Chemical Property Profile of 1,4-亚丁基双(4-氟苯磺酸盐)
Property Insights of 1,4-亚丁基双(4-氟苯磺酸盐)
The XLogP value of 3.1 indicates that 1,4-亚丁基双(4-氟苯磺酸盐) 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 1,4-亚丁基双(4-氟苯磺酸盐). Following Lipinski's Rule of Five, 1,4-亚丁基双(4-氟苯磺酸盐) has 0 hydrogen bond donor(s) and 8 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 1,4-亚丁基双(4-氟苯磺酸盐)?
The CAS number of 1,4-亚丁基双(4-氟苯磺酸盐) is 91969-06-1.
What is the molecular formula of 1,4-亚丁基双(4-氟苯磺酸盐)?
The molecular formula of 1,4-亚丁基双(4-氟苯磺酸盐) is C16H16F2O6S2.
What is the molecular weight of 1,4-亚丁基双(4-氟苯磺酸盐)?
The molecular weight of 1,4-亚丁基双(4-氟苯磺酸盐) is 406.04 g/mol.
Where can I buy 1,4-亚丁基双(4-氟苯磺酸盐)?
You can request a quote for 1,4-亚丁基双(4-氟苯磺酸盐) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-亚丁基双(4-氟苯磺酸盐)?
Yes, KEHONG BIO provides custom synthesis services for 1,4-亚丁基双(4-氟苯磺酸盐) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.