BAS 00404702
TL;DR: BAS 00404702 (CAS 5528-66-5) is a chemical compound with molecular formula C22H16N2O4S2 and molecular weight 436.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: BAS 00404702, BIM-0022899.P001, 5-[(5-{2-nitrophenyl}-2-furyl)methylene]-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-4-one, (5E)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one, (5E)-5-{[5-(2-NITROPHENYL)FURAN-2-YL]METHYLIDENE}-3-(2-PHENYLETHYL)-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE
| Molecular Formula | C22H16N2O4S2 |
|---|---|
| Molecular Weight | 436.06 g/mol |
| LogP | 5.2987 |
| Topological Polar Surface Area | 76.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 436.05515 |
| Heavy Atoms | 30 |
| Complexity | 1154.709 |
Chemical Identifiers
| CAS Number | 5528-66-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCN2C(=O)/C(=C\C3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-])/SC2=S |
Product Overview
BAS 00404702 (CAS 5528-66-5), with molecular formula C22H16N2O4S2 and molecular weight 436.06 g/mol. IUPAC: (5E)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of BAS 00404702
Property Insights of BAS 00404702
The XLogP value of 5.2987 indicates that BAS 00404702 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.59 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00404702. Following Lipinski's Rule of Five, BAS 00404702 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 00404702?
The CAS number of BAS 00404702 is 5528-66-5.
What is the molecular formula of BAS 00404702?
The molecular formula of BAS 00404702 is C22H16N2O4S2.
What is the molecular weight of BAS 00404702?
The molecular weight of BAS 00404702 is 436.06 g/mol.
Where can I buy BAS 00404702?
You can request a quote for BAS 00404702 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00404702?
Yes, KEHONG BIO provides custom synthesis services for BAS 00404702 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.