(3E)-1'-butylsulfanyl-3-(butylsulfanylmethylidene)-7,7'-dime
TL;DR: (3E)-1'-butylsulfanyl-3-(butylsulfanylmethylidene)-7,7'-dime (CAS 66100-76-3) is a chemical compound with molecular formula C34H44O2S2 and molecular weight 548.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1'-butylsulfanyl-3-(butylsulfanylmethylidene)-7,7'-dimethoxyspiro[1,2-dihydronaphthalene-4,3'-2,4,9,10-tetrahydro-1H-phenanthrene]
Also Known As: (3E)-1'-butylsulfanyl-3-(butylsulfanylmethylidene)-7,7'-dime, 1'-butylsulfanyl-3-(butylsulfanylmethylidene)-7,7'-dimethoxyspiro[1,2-dihydronaphthalene-4,3'-2,4,9,10-tetrahydro-1H-phenanthrene]
| Molecular Formula | C34H44O2S2 |
|---|---|
| Molecular Weight | 548.28 g/mol |
| LogP | 8.1 |
| Topological Polar Surface Area | 69.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 548.27826 |
| Heavy Atoms | 38 |
| Complexity | 836.0 |
Chemical Identifiers
| CAS Number | 66100-76-3 |
|---|---|
| SMILES | CCCCSC=C1CCC2=C(C13CC(C4=C(C3)C5=C(CC4)C=C(C=C5)OC)SCCCC)C=CC(=C2)OC |
| InChIKey | XAMWXSFDJFGEBK-UHFFFAOYSA-N |
Product Overview
(3E)-1'-butylsulfanyl-3-(butylsulfanylmethylidene)-7,7'-dime (CAS 66100-76-3), with molecular formula C34H44O2S2 and molecular weight 548.28 g/mol. IUPAC: 1'-butylsulfanyl-3-(butylsulfanylmethylidene)-7,7'-dimethoxyspiro[1,2-dihydronaphthalene-4,3'-2,4,9,10-tetrahydro-1H-phenanthrene].
Chemical Property Profile of (3E)-1'-butylsulfanyl-3-(butylsulfanylmethylidene)-7,7'-dime
Property Insights of (3E)-1'-butylsulfanyl-3-(butylsulfanylmethylidene)-7,7'-dime
The XLogP value of 8.1 indicates that (3E)-1'-butylsulfanyl-3-(butylsulfanylmethylidene)-7,7'-dime is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (3E)-1'-butylsulfanyl-3-(butylsulfanylmethylidene)-7,7'-dime. Following Lipinski's Rule of Five, (3E)-1'-butylsulfanyl-3-(butylsulfanylmethylidene)-7,7'-dime has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3E)-1'-butylsulfanyl-3-(butylsulfanylmethylidene)-7,7'-dime?
The CAS number of (3E)-1'-butylsulfanyl-3-(butylsulfanylmethylidene)-7,7'-dime is 66100-76-3.
What is the molecular formula of (3E)-1'-butylsulfanyl-3-(butylsulfanylmethylidene)-7,7'-dime?
The molecular formula of (3E)-1'-butylsulfanyl-3-(butylsulfanylmethylidene)-7,7'-dime is C34H44O2S2.
What is the molecular weight of (3E)-1'-butylsulfanyl-3-(butylsulfanylmethylidene)-7,7'-dime?
The molecular weight of (3E)-1'-butylsulfanyl-3-(butylsulfanylmethylidene)-7,7'-dime is 548.28 g/mol.
Where can I buy (3E)-1'-butylsulfanyl-3-(butylsulfanylmethylidene)-7,7'-dime?
You can request a quote for (3E)-1'-butylsulfanyl-3-(butylsulfanylmethylidene)-7,7'-dime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3E)-1'-butylsulfanyl-3-(butylsulfanylmethylidene)-7,7'-dime?
Yes, KEHONG BIO provides custom synthesis services for (3E)-1'-butylsulfanyl-3-(butylsulfanylmethylidene)-7,7'-dime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.