BAS 01104794
TL;DR: BAS 01104794 (CAS 313379-64-5) is a chemical compound with molecular formula C24H17FN2OS2 and molecular weight 432.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-fluorophenyl)-2-(2-phenoxyethylsulfanyl)-6-thiophen-2-ylpyridine-3-carbonitrile
Also Known As: BAS 01104794, 4-(4-fluorophenyl)-2-(2-phenoxyethylsulfanyl)-6-thiophen-2-ylpyridine-3-carbonitrile, 4-(4-fluorophenyl)-2-[(2-phenoxyethyl)sulfanyl]-6-thien-2-ylnicotinonitrile, A2128/0089353, 4-(4-fluorophenyl)-2-[(2-phenoxyethyl)sulfanyl]-6-(thiophen-2-yl)pyridine-3-carbonitrile
| Molecular Formula | C24H17FN2OS2 |
|---|---|
| Molecular Weight | 432.08 g/mol |
| LogP | 6.65898 |
| Topological Polar Surface Area | 45.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 432.07663 |
| Heavy Atoms | 30 |
| Complexity | 1154.5426 |
Chemical Identifiers
| CAS Number | 313379-64-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCCSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=C(C=C4)F)C#N |
Product Overview
BAS 01104794 (CAS 313379-64-5), with molecular formula C24H17FN2OS2 and molecular weight 432.08 g/mol. IUPAC: 4-(4-fluorophenyl)-2-(2-phenoxyethylsulfanyl)-6-thiophen-2-ylpyridine-3-carbonitrile.
Chemical Property Profile of BAS 01104794
Property Insights of BAS 01104794
The XLogP value of 6.65898 indicates that BAS 01104794 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.91 Ų, BAS 01104794 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01104794 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01104794?
The CAS number of BAS 01104794 is 313379-64-5.
What is the molecular formula of BAS 01104794?
The molecular formula of BAS 01104794 is C24H17FN2OS2.
What is the molecular weight of BAS 01104794?
The molecular weight of BAS 01104794 is 432.08 g/mol.
Where can I buy BAS 01104794?
You can request a quote for BAS 01104794 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01104794?
Yes, KEHONG BIO provides custom synthesis services for BAS 01104794 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.