BAS 00775921
TL;DR: BAS 00775921 (CAS 878384-54-4) is a chemical compound with molecular formula C21H14N2O4S2 and molecular weight 422.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-benzyl-5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: BAS 00775921, (z)-3-benzyl-5-((5-(3-nitrophenyl)furan-2-yl)methylene)-2-thioxothiazolidin-4-one, 3-Benzyl-5-[5-(3-nitro-phenyl)-furan-2-ylmethylene]-2-thioxo-thiazolidin-4-one, 3-benzyl-5-{[5-(3-nitrophenyl)-2-furyl]methylene}-2-thioxo-1,3-thiazolidin-4-one, (5Z)-3-benzyl-5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C21H14N2O4S2 |
|---|---|
| Molecular Weight | 422.04 g/mol |
| LogP | 5.2562 |
| Topological Polar Surface Area | 76.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 422.0395 |
| Heavy Atoms | 29 |
| Complexity | 1138.3475 |
Chemical Identifiers
| CAS Number | 878384-54-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-])/SC2=S |
Product Overview
BAS 00775921 (CAS 878384-54-4), with molecular formula C21H14N2O4S2 and molecular weight 422.04 g/mol. IUPAC: (5Z)-3-benzyl-5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of BAS 00775921
Property Insights of BAS 00775921
The XLogP value of 5.2562 indicates that BAS 00775921 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 00775921. Following Lipinski's Rule of Five, BAS 00775921 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 00775921?
The CAS number of BAS 00775921 is 878384-54-4.
What is the molecular formula of BAS 00775921?
The molecular formula of BAS 00775921 is C21H14N2O4S2.
What is the molecular weight of BAS 00775921?
The molecular weight of BAS 00775921 is 422.04 g/mol.
Where can I buy BAS 00775921?
You can request a quote for BAS 00775921 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00775921?
Yes, KEHONG BIO provides custom synthesis services for BAS 00775921 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.