BAS 00554574
TL;DR: BAS 00554574 (CAS 314047-57-9) is a chemical compound with molecular formula C22H14F3NO2S2 and molecular weight 445.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(2-methoxynaphthalen-1-yl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
Also Known As: BAS 00554574, (E)-5-((2-methoxynaphthalen-1-yl)methylene)-2-thioxo-3-(3-(trifluoromethyl)phenyl)thiazolidin-4-one, (5E)-5-[(2-methoxynaphthalen-1-yl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one, F0266-5399, 5-[(2-methoxy-1-naphthyl)methylene]-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
| Molecular Formula | C22H14F3NO2S2 |
|---|---|
| Molecular Weight | 445.04 g/mol |
| LogP | 6.273 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 445.0418 |
| Heavy Atoms | 30 |
| Complexity | 1204.452 |
Chemical Identifiers
| CAS Number | 314047-57-9 |
|---|---|
| SMILES | COC1=C(C2=CC=CC=C2C=C1)/C=C/3\C(=O)N(C(=S)S3)C4=CC=CC(=C4)C(F)(F)F |
Product Overview
BAS 00554574 (CAS 314047-57-9), with molecular formula C22H14F3NO2S2 and molecular weight 445.04 g/mol. IUPAC: (5E)-5-[(2-methoxynaphthalen-1-yl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.
Chemical Property Profile of BAS 00554574
Property Insights of BAS 00554574
The XLogP value of 6.273 indicates that BAS 00554574 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, BAS 00554574 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00554574 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 BAS 00554574?
The CAS number of BAS 00554574 is 314047-57-9.
What is the molecular formula of BAS 00554574?
The molecular formula of BAS 00554574 is C22H14F3NO2S2.
What is the molecular weight of BAS 00554574?
The molecular weight of BAS 00554574 is 445.04 g/mol.
Where can I buy BAS 00554574?
You can request a quote for BAS 00554574 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00554574?
Yes, KEHONG BIO provides custom synthesis services for BAS 00554574 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.