rhodanine derivative, 31
TL;DR: rhodanine derivative, 31 (CAS 623933-18-6) is a chemical compound with molecular formula C25H22N4O6S3 and molecular weight 570.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5Z)-5-[[3-(4-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: rhodanine derivative, 31, 2-(5-((3-(4-(Morpholinosulfonyl)phenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid, [(5Z)-5-({3-[4-(4-MORPHOLINYLSULFONYL)PHENYL]-1-PHENYL-1H-PYRAZOL-4-YL}METHYLENE)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL]ACETIC ACID, [(5Z)-5-({3-[4-(morpholin-4-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid, 2-[(5Z)-5-({3-[4-(morpholine-4-sulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
| Molecular Formula | C25H22N4O6S3 |
|---|---|
| Molecular Weight | 570.07 g/mol |
| LogP | 2.846 |
| Topological Polar Surface Area | 122.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 570.0701 |
| Heavy Atoms | 38 |
| Complexity | 1528.7344 |
Chemical Identifiers
| CAS Number | 623933-18-6 |
|---|---|
| SMILES | C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C3=NN(C=C3/C=C\4/C(=O)N(C(=S)S4)CC(=O)O)C5=CC=CC=C5 |
Product Overview
rhodanine derivative, 31 (CAS 623933-18-6), with molecular formula C25H22N4O6S3 and molecular weight 570.07 g/mol. IUPAC: 2-[(5Z)-5-[[3-(4-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.
Chemical Property Profile of rhodanine derivative, 31
Property Insights of rhodanine derivative, 31
The XLogP value of 2.846 suggests moderate lipophilicity, balancing water solubility and membrane permeability for rhodanine derivative, 31. The TPSA of 122.04 Ų falls within the moderate polarity range, balancing permeability and solubility for rhodanine derivative, 31. Following Lipinski's Rule of Five, rhodanine derivative, 31 has 1 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 rhodanine derivative, 31?
The CAS number of rhodanine derivative, 31 is 623933-18-6.
What is the molecular formula of rhodanine derivative, 31?
The molecular formula of rhodanine derivative, 31 is C25H22N4O6S3.
What is the molecular weight of rhodanine derivative, 31?
The molecular weight of rhodanine derivative, 31 is 570.07 g/mol.
Where can I buy rhodanine derivative, 31?
You can request a quote for rhodanine derivative, 31 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for rhodanine derivative, 31?
Yes, KEHONG BIO provides custom synthesis services for rhodanine derivative, 31 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.