2,2'-Sulfanediylbis(4,5-difluoroaniline)
TL;DR: 2,2'-Sulfanediylbis(4,5-difluoroaniline) (CAS 401-13-8) is a chemical compound with molecular formula C12H8F4N2S and molecular weight 288.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-amino-4,5-difluorophenyl)sulfanyl-4,5-difluoroaniline
Also Known As: 2,2'-Sulfanediylbis(4,5-difluoroaniline), bis-(2-amino-4,5-difluoro-phenyl)-sulfide, 2-(2-amino-4,5-difluorophenyl)sulfanyl-4,5-difluoroaniline
| Molecular Formula | C12H8F4N2S |
|---|---|
| Molecular Weight | 288.03 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 77.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.03442 |
| Heavy Atoms | 19 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 401-13-8 |
|---|---|
| SMILES | C1=C(C(=CC(=C1F)F)SC2=CC(=C(C=C2N)F)F)N |
| InChIKey | JYCYVTHXSQIVKB-UHFFFAOYSA-N |
Product Overview
2,2'-Sulfanediylbis(4,5-difluoroaniline) (CAS 401-13-8), with molecular formula C12H8F4N2S and molecular weight 288.03 g/mol. IUPAC: 2-(2-amino-4,5-difluorophenyl)sulfanyl-4,5-difluoroaniline.
Chemical Property Profile of 2,2'-Sulfanediylbis(4,5-difluoroaniline)
Property Insights of 2,2'-Sulfanediylbis(4,5-difluoroaniline)
The XLogP value of 3.0 indicates that 2,2'-Sulfanediylbis(4,5-difluoroaniline) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2'-Sulfanediylbis(4,5-difluoroaniline). Following Lipinski's Rule of Five, 2,2'-Sulfanediylbis(4,5-difluoroaniline) has 2 hydrogen bond donor(s) and 7 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 2,2'-Sulfanediylbis(4,5-difluoroaniline)?
The CAS number of 2,2'-Sulfanediylbis(4,5-difluoroaniline) is 401-13-8.
What is the molecular formula of 2,2'-Sulfanediylbis(4,5-difluoroaniline)?
The molecular formula of 2,2'-Sulfanediylbis(4,5-difluoroaniline) is C12H8F4N2S.
What is the molecular weight of 2,2'-Sulfanediylbis(4,5-difluoroaniline)?
The molecular weight of 2,2'-Sulfanediylbis(4,5-difluoroaniline) is 288.03 g/mol.
Where can I buy 2,2'-Sulfanediylbis(4,5-difluoroaniline)?
You can request a quote for 2,2'-Sulfanediylbis(4,5-difluoroaniline) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2'-Sulfanediylbis(4,5-difluoroaniline)?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-Sulfanediylbis(4,5-difluoroaniline) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.