3,3'-Sulfanediylbis(4,4,5,5,6,6,6-heptafluorohexanoic acid)
TL;DR: 3,3'-Sulfanediylbis(4,4,5,5,6,6,6-heptafluorohexanoic acid) (CAS 31377-23-8) is a chemical compound with molecular formula C12H8F14O4S and molecular weight 513.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-carboxy-3,3,4,4,5,5,5-heptafluoropentan-2-yl)sulfanyl-4,4,5,5,6,6,6-heptafluorohexanoic acid
Also Known As: 3,3'-sulfanediylbis(4,4,5,5,6,6,6-heptafluorohexanoic acid), Hexanoic acid,3,3'-thiobis[4,4,5,5,6,6,6-heptafluoro-, 3-(1-carboxy-3,3,4,4,5,5,5-heptafluoropentan-2-yl)sulfanyl-4, 4,4,5,5,6,6,6-heptafluoro-3-(4,4,5,5,6,6,6-heptafluoro-1-hydroxy-1-oxohexan-3-yl)sulfanylhexanoic acid
| Molecular Formula | C12H8F14O4S |
|---|---|
| Molecular Weight | 513.99 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 99.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 10 |
| Exact Mass | 513.992 |
| Heavy Atoms | 31 |
| Complexity | 615.0 |
Chemical Identifiers
| CAS Number | 31377-23-8 |
|---|---|
| SMILES | C(C(C(C(C(F)(F)F)(F)F)(F)F)SC(CC(=O)O)C(C(C(F)(F)F)(F)F)(F)F)C(=O)O |
| InChIKey | WRVMOWWHPGYRJJ-UHFFFAOYSA-N |
Product Overview
3,3'-Sulfanediylbis(4,4,5,5,6,6,6-heptafluorohexanoic acid) (CAS 31377-23-8), with molecular formula C12H8F14O4S and molecular weight 513.99 g/mol. IUPAC: 3-(1-carboxy-3,3,4,4,5,5,5-heptafluoropentan-2-yl)sulfanyl-4,4,5,5,6,6,6-heptafluorohexanoic acid.
Chemical Property Profile of 3,3'-Sulfanediylbis(4,4,5,5,6,6,6-heptafluorohexanoic acid)
Property Insights of 3,3'-Sulfanediylbis(4,4,5,5,6,6,6-heptafluorohexanoic acid)
The XLogP value of 4.9 indicates that 3,3'-Sulfanediylbis(4,4,5,5,6,6,6-heptafluorohexanoic acid) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3'-Sulfanediylbis(4,4,5,5,6,6,6-heptafluorohexanoic acid). Following Lipinski's Rule of Five, 3,3'-Sulfanediylbis(4,4,5,5,6,6,6-heptafluorohexanoic acid) has 2 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,3'-Sulfanediylbis(4,4,5,5,6,6,6-heptafluorohexanoic acid)?
The CAS number of 3,3'-Sulfanediylbis(4,4,5,5,6,6,6-heptafluorohexanoic acid) is 31377-23-8.
What is the molecular formula of 3,3'-Sulfanediylbis(4,4,5,5,6,6,6-heptafluorohexanoic acid)?
The molecular formula of 3,3'-Sulfanediylbis(4,4,5,5,6,6,6-heptafluorohexanoic acid) is C12H8F14O4S.
What is the molecular weight of 3,3'-Sulfanediylbis(4,4,5,5,6,6,6-heptafluorohexanoic acid)?
The molecular weight of 3,3'-Sulfanediylbis(4,4,5,5,6,6,6-heptafluorohexanoic acid) is 513.99 g/mol.
Where can I buy 3,3'-Sulfanediylbis(4,4,5,5,6,6,6-heptafluorohexanoic acid)?
You can request a quote for 3,3'-Sulfanediylbis(4,4,5,5,6,6,6-heptafluorohexanoic acid) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-Sulfanediylbis(4,4,5,5,6,6,6-heptafluorohexanoic acid)?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-Sulfanediylbis(4,4,5,5,6,6,6-heptafluorohexanoic acid) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.