MixCom6_002523
TL;DR: MixCom6_002523 (CAS 6178-28-5) is a chemical compound with molecular formula C21H13ClN2O4S2 and molecular weight 456.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-3-benzyl-5-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: MixCom6_002523, BIM-0047427.P001, (5E)-3-benzyl-5-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 3-benzyl-5-{[5-(2-chloro-4-nitrophenyl)-2-furyl]methylene}-2-thioxo-1,3-thiazolidin-4-one, (5E)-3-BENZYL-5-{[5-(2-CHLORO-4-NITROPHENYL)FURAN-2-YL]METHYLIDENE}-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE
| Molecular Formula | C21H13ClN2O4S2 |
|---|---|
| Molecular Weight | 456.00 g/mol |
| LogP | 5.9096 |
| Topological Polar Surface Area | 76.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 456.00052 |
| Heavy Atoms | 30 |
| Complexity | 1190.7268 |
Chemical Identifiers
| CAS Number | 6178-28-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=O)/C(=C\C3=CC=C(O3)C4=C(C=C(C=C4)[N+](=O)[O-])Cl)/SC2=S |
Product Overview
MixCom6_002523 (CAS 6178-28-5), with molecular formula C21H13ClN2O4S2 and molecular weight 456.00 g/mol. IUPAC: (5E)-3-benzyl-5-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of MixCom6_002523
Property Insights of MixCom6_002523
The XLogP value of 5.9096 indicates that MixCom6_002523 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 MixCom6_002523. Following Lipinski's Rule of Five, MixCom6_002523 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 MixCom6_002523?
The CAS number of MixCom6_002523 is 6178-28-5.
What is the molecular formula of MixCom6_002523?
The molecular formula of MixCom6_002523 is C21H13ClN2O4S2.
What is the molecular weight of MixCom6_002523?
The molecular weight of MixCom6_002523 is 456.00 g/mol.
Where can I buy MixCom6_002523?
You can request a quote for MixCom6_002523 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MixCom6_002523?
Yes, KEHONG BIO provides custom synthesis services for MixCom6_002523 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.