RefChem:827544
TL;DR: RefChem:827544 (CAS 617696-49-8) is a chemical compound with molecular formula C28H22FN3O4S2 and molecular weight 547.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-ethoxyphenyl)-2-[(3Z)-3-[3-[(4-fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]acetamide
Also Known As: N-(4-ethoxyphenyl)-2-{(3Z)-3-[3-(4-fluorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetamide, 644-602-7, N-(4-ETHOXYPHENYL)-2-((3Z)-3-(3-(4-FLUOROBENZYL)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)-2-OXO-2,3-DIHYDRO-1H-INDOL-1-YL)ACETAMIDE, N-(4-ethoxyphenyl)-2-[(3Z)-3-[3-[(4-fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]acetamide, RefChem:827544
| Molecular Formula | C28H22FN3O4S2 |
|---|---|
| Molecular Weight | 547.10 g/mol |
| LogP | 4.9813 |
| Topological Polar Surface Area | 78.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 547.1036 |
| Heavy Atoms | 38 |
| Complexity | 1472.174 |
Chemical Identifiers
| CAS Number | 617696-49-8 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3/C(=C/4\C(=O)N(C(=S)S4)CC5=CC=C(C=C5)F)/C2=O |
Product Overview
RefChem:827544 (CAS 617696-49-8), with molecular formula C28H22FN3O4S2 and molecular weight 547.10 g/mol. IUPAC: N-(4-ethoxyphenyl)-2-[(3Z)-3-[3-[(4-fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]acetamide.
Chemical Property Profile of RefChem:827544
Property Insights of RefChem:827544
The XLogP value of 4.9813 indicates that RefChem:827544 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.95 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:827544. Following Lipinski's Rule of Five, RefChem:827544 has 1 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 RefChem:827544?
The CAS number of RefChem:827544 is 617696-49-8.
What is the molecular formula of RefChem:827544?
The molecular formula of RefChem:827544 is C28H22FN3O4S2.
What is the molecular weight of RefChem:827544?
The molecular weight of RefChem:827544 is 547.10 g/mol.
Where can I buy RefChem:827544?
You can request a quote for RefChem:827544 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:827544?
Yes, KEHONG BIO provides custom synthesis services for RefChem:827544 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.