C21H12ClN3O7S
TL;DR: C21H12ClN3O7S (CAS 524031-99-0) is a chemical compound with molecular formula C21H12ClN3O7S and molecular weight 485.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-3-[(2-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione
Also Known As: (5E)-5-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-3-[(2-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione, (5E)-5-{[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene}-3-(2-nitrobenzyl)-1,3-thiazolidine-2,4-dione, (E)-5-((5-(4-chloro-2-nitrophenyl)furan-2-yl)methylene)-3-(2-nitrobenzyl)thiazolidine-2,4-dione
| Molecular Formula | C21H12ClN3O7S |
|---|---|
| Molecular Weight | 485.01 g/mol |
| LogP | 5.6529 |
| Topological Polar Surface Area | 136.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 485.00845 |
| Heavy Atoms | 33 |
| Complexity | 1351.1312 |
Chemical Identifiers
| CAS Number | 524031-99-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CN2C(=O)/C(=C\C3=CC=C(O3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-])/SC2=O)[N+](=O)[O-] |
Product Overview
C21H12ClN3O7S (CAS 524031-99-0), with molecular formula C21H12ClN3O7S and molecular weight 485.01 g/mol. IUPAC: (5E)-5-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-3-[(2-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione.
Chemical Property Profile of C21H12ClN3O7S
Property Insights of C21H12ClN3O7S
The XLogP value of 5.6529 indicates that C21H12ClN3O7S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.8 Ų falls within the moderate polarity range, balancing permeability and solubility for C21H12ClN3O7S. Following Lipinski's Rule of Five, C21H12ClN3O7S has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C21H12ClN3O7S?
The CAS number of C21H12ClN3O7S is 524031-99-0.
What is the molecular formula of C21H12ClN3O7S?
The molecular formula of C21H12ClN3O7S is C21H12ClN3O7S.
What is the molecular weight of C21H12ClN3O7S?
The molecular weight of C21H12ClN3O7S is 485.01 g/mol.
Where can I buy C21H12ClN3O7S?
You can request a quote for C21H12ClN3O7S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H12ClN3O7S?
Yes, KEHONG BIO provides custom synthesis services for C21H12ClN3O7S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.