BAS 01127433
TL;DR: BAS 01127433 (CAS 6381-05-1) is a chemical compound with molecular formula C30H18F6N4S2 and molecular weight 612.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]but-2-enylsulfanyl]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
Also Known As: BAS 01127433, 2-[4-[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylbut-2-enylsulfanyl]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile, 2,2'-[But-2-ene-1,4-diylbis(sulfanediyl)]bis[6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile]
| Molecular Formula | C30H18F6N4S2 |
|---|---|
| Molecular Weight | 612.09 g/mol |
| LogP | 9.03216 |
| Topological Polar Surface Area | 73.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 612.0877 |
| Heavy Atoms | 42 |
| Complexity | 1548.5068 |
Chemical Identifiers
| CAS Number | 6381-05-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC=CCSC3=C(C(=CC(=N3)C4=CC=CC=C4)C(F)(F)F)C#N |
Product Overview
BAS 01127433 (CAS 6381-05-1), with molecular formula C30H18F6N4S2 and molecular weight 612.09 g/mol. IUPAC: 2-[4-[[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]but-2-enylsulfanyl]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile.
Chemical Property Profile of BAS 01127433
Property Insights of BAS 01127433
The XLogP value of 9.03216 indicates that BAS 01127433 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.36 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01127433. Following Lipinski's Rule of Five, BAS 01127433 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01127433?
The CAS number of BAS 01127433 is 6381-05-1.
What is the molecular formula of BAS 01127433?
The molecular formula of BAS 01127433 is C30H18F6N4S2.
What is the molecular weight of BAS 01127433?
The molecular weight of BAS 01127433 is 612.09 g/mol.
Where can I buy BAS 01127433?
You can request a quote for BAS 01127433 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01127433?
Yes, KEHONG BIO provides custom synthesis services for BAS 01127433 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.