![4,5-Bis[(4-tert-butylphenyl)sulfanyl]-3,6-difluorobenzene-1,2-dicarbonitrile structure](/static/products/121/121933-24-2.png)
4,5-Bis[(4-tert-butylphenyl)sulfanyl]-3,6-difluorobenzene-1,2-dicarbonitrile
TL;DR: 4,5-Bis[(4-tert-butylphenyl)sulfanyl]-3,6-difluorobenzene-1,2-dicarbonitrile (CAS 121933-24-2) is a chemical compound with molecular formula C28H26F2N2S2 and molecular weight 492.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-bis[(4-tert-butylphenyl)sulfanyl]-3,6-difluorobenzene-1,2-dicarbonitrile
Also Known As: 4,5-bis[(4-tert-butylphenyl)sulfanyl]-3,6-difluorobenzene-1,2-dicarbonitrile, 4,5-bis((4-(tert-butyl)phenyl)thio)-3,6-difluorophthalonitrile
| Molecular Formula | C28H26F2N2S2 |
|---|---|
| Molecular Weight | 492.15 g/mol |
| LogP | 8.60556 |
| Topological Polar Surface Area | 47.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 492.15054 |
| Heavy Atoms | 34 |
| Complexity | 1183.434 |
Chemical Identifiers
| CAS Number | 121933-24-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)SC2=C(C(=C(C(=C2SC3=CC=C(C=C3)C(C)(C)C)F)C#N)C#N)F |
Product Overview
4,5-Bis[(4-tert-butylphenyl)sulfanyl]-3,6-difluorobenzene-1,2-dicarbonitrile (CAS 121933-24-2), with molecular formula C28H26F2N2S2 and molecular weight 492.15 g/mol. IUPAC: 4,5-bis[(4-tert-butylphenyl)sulfanyl]-3,6-difluorobenzene-1,2-dicarbonitrile.
Chemical Property Profile of 4,5-Bis[(4-tert-butylphenyl)sulfanyl]-3,6-difluorobenzene-1,2-dicarbonitrile
Property Insights of 4,5-Bis[(4-tert-butylphenyl)sulfanyl]-3,6-difluorobenzene-1,2-dicarbonitrile
The XLogP value of 8.60556 indicates that 4,5-Bis[(4-tert-butylphenyl)sulfanyl]-3,6-difluorobenzene-1,2-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.58 Ų, 4,5-Bis[(4-tert-butylphenyl)sulfanyl]-3,6-difluorobenzene-1,2-dicarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Bis[(4-tert-butylphenyl)sulfanyl]-3,6-difluorobenzene-1,2-dicarbonitrile 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 4,5-Bis[(4-tert-butylphenyl)sulfanyl]-3,6-difluorobenzene-1,2-dicarbonitrile?
The CAS number of 4,5-Bis[(4-tert-butylphenyl)sulfanyl]-3,6-difluorobenzene-1,2-dicarbonitrile is 121933-24-2.
What is the molecular formula of 4,5-Bis[(4-tert-butylphenyl)sulfanyl]-3,6-difluorobenzene-1,2-dicarbonitrile?
The molecular formula of 4,5-Bis[(4-tert-butylphenyl)sulfanyl]-3,6-difluorobenzene-1,2-dicarbonitrile is C28H26F2N2S2.
What is the molecular weight of 4,5-Bis[(4-tert-butylphenyl)sulfanyl]-3,6-difluorobenzene-1,2-dicarbonitrile?
The molecular weight of 4,5-Bis[(4-tert-butylphenyl)sulfanyl]-3,6-difluorobenzene-1,2-dicarbonitrile is 492.15 g/mol.
Where can I buy 4,5-Bis[(4-tert-butylphenyl)sulfanyl]-3,6-difluorobenzene-1,2-dicarbonitrile?
You can request a quote for 4,5-Bis[(4-tert-butylphenyl)sulfanyl]-3,6-difluorobenzene-1,2-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Bis[(4-tert-butylphenyl)sulfanyl]-3,6-difluorobenzene-1,2-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Bis[(4-tert-butylphenyl)sulfanyl]-3,6-difluorobenzene-1,2-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.