RefChem:827545
TL;DR: RefChem:827545 (CAS 617696-57-8) is a chemical compound with molecular formula C29H25N3O4S2 and molecular weight 543.13 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-methylphenyl)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-methylbenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetamide, 644-578-8, N-(4-ETHOXYPHENYL)-2-((3Z)-3-(3-(4-METHYLBENZYL)-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-methylphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]acetamide, RefChem:827545
| Molecular Formula | C29H25N3O4S2 |
|---|---|
| Molecular Weight | 543.13 g/mol |
| LogP | 5.15062 |
| Topological Polar Surface Area | 78.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 543.12866 |
| Heavy Atoms | 38 |
| Complexity | 1465.8984 |
Chemical Identifiers
| CAS Number | 617696-57-8 |
|---|---|
| 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)C)/C2=O |
Product Overview
RefChem:827545 (CAS 617696-57-8), with molecular formula C29H25N3O4S2 and molecular weight 543.13 g/mol. IUPAC: N-(4-ethoxyphenyl)-2-[(3Z)-3-[3-[(4-methylphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]acetamide.
Chemical Property Profile of RefChem:827545
Property Insights of RefChem:827545
The XLogP value of 5.15062 indicates that RefChem:827545 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:827545. Following Lipinski's Rule of Five, RefChem:827545 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:827545?
The CAS number of RefChem:827545 is 617696-57-8.
What is the molecular formula of RefChem:827545?
The molecular formula of RefChem:827545 is C29H25N3O4S2.
What is the molecular weight of RefChem:827545?
The molecular weight of RefChem:827545 is 543.13 g/mol.
Where can I buy RefChem:827545?
You can request a quote for RefChem:827545 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:827545?
Yes, KEHONG BIO provides custom synthesis services for RefChem:827545 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.