RefChem:595145
TL;DR: RefChem:595145 (CAS 617696-32-9) is a chemical compound with molecular formula C26H25N3O5S2 and molecular weight 523.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[(3Z)-3-(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]acetyl]amino]benzoate
Also Known As: ETHYL 4-({[(3Z)-3-(3-SEC-BUTYL-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)-2-OXO-2,3-DIHYDRO-1H-INDOL-1-YL]ACETYL}AMINO)BENZOATE, 644-547-9, Ethyl 4-((((3Z)-3-(3-sec-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-2-oxo-2,3-dihydro-1H-indol-1-YL)acetyl)amino)benzoate, ethyl 4-[({(3Z)-3-[3-(butan-2-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetyl)amino]benzoate, ethyl 4-[[2-[(3Z)-3-(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]acetyl]amino]benzoate
| Molecular Formula | C26H25N3O5S2 |
|---|---|
| Molecular Weight | 523.12 g/mol |
| LogP | 4.2185 |
| Topological Polar Surface Area | 96.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 523.12354 |
| Heavy Atoms | 36 |
| Complexity | 1288.7397 |
Chemical Identifiers
| CAS Number | 617696-32-9 |
|---|---|
| SMILES | CCC(C)N1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC=C(C=C4)C(=O)OCC)/SC1=S |
Product Overview
RefChem:595145 (CAS 617696-32-9), with molecular formula C26H25N3O5S2 and molecular weight 523.12 g/mol. IUPAC: ethyl 4-[[2-[(3Z)-3-(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]acetyl]amino]benzoate.
Chemical Property Profile of RefChem:595145
Property Insights of RefChem:595145
The XLogP value of 4.2185 indicates that RefChem:595145 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.02 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:595145. Following Lipinski's Rule of Five, RefChem:595145 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:595145?
The CAS number of RefChem:595145 is 617696-32-9.
What is the molecular formula of RefChem:595145?
The molecular formula of RefChem:595145 is C26H25N3O5S2.
What is the molecular weight of RefChem:595145?
The molecular weight of RefChem:595145 is 523.12 g/mol.
Where can I buy RefChem:595145?
You can request a quote for RefChem:595145 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:595145?
Yes, KEHONG BIO provides custom synthesis services for RefChem:595145 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.