BAS 00126446
TL;DR: BAS 00126446 (CAS 301654-99-9) is a chemical compound with molecular formula C20H12BrNO2S2 and molecular weight 440.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: BAS 00126446, (E)-5-((5-(4-bromophenyl)furan-2-yl)methylene)-3-phenyl-2-thioxothiazolidin-4-one, 5-[5-(4-Bromo-phenyl)-furan-2-ylmethylene]-3-phenyl-2-thioxo-thiazolidin-4-one, 5-{[5-(4-bromophenyl)(2-furyl)]methylene}-3-phenyl-2-thioxo-1,3-thiazolidin-4- one, (5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C20H12BrNO2S2 |
|---|---|
| Molecular Weight | 440.95 g/mol |
| LogP | 6.1149 |
| Topological Polar Surface Area | 33.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 440.94928 |
| Heavy Atoms | 26 |
| Complexity | 1009.8052 |
Chemical Identifiers
| CAS Number | 301654-99-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC=C(O3)C4=CC=C(C=C4)Br)/SC2=S |
Product Overview
BAS 00126446 (CAS 301654-99-9), with molecular formula C20H12BrNO2S2 and molecular weight 440.95 g/mol. IUPAC: (5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of BAS 00126446
Property Insights of BAS 00126446
The XLogP value of 6.1149 indicates that BAS 00126446 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.45 Ų, BAS 00126446 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00126446 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 00126446?
The CAS number of BAS 00126446 is 301654-99-9.
What is the molecular formula of BAS 00126446?
The molecular formula of BAS 00126446 is C20H12BrNO2S2.
What is the molecular weight of BAS 00126446?
The molecular weight of BAS 00126446 is 440.95 g/mol.
Where can I buy BAS 00126446?
You can request a quote for BAS 00126446 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00126446?
Yes, KEHONG BIO provides custom synthesis services for BAS 00126446 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.