RefChem:595144
TL;DR: RefChem:595144 (CAS 617696-29-4) is a chemical compound with molecular formula C29H31N3O5S2 and molecular weight 565.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[(3Z)-3-(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]acetyl]amino]benzoate
Also Known As: SALOR-INT L440191-1EA, ethyl 4-({[(3Z)-3-(3-heptyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-2-oxo-2,3-dihydro-1H-indol-1-yl]acetyl}amino)benzoate, 644-554-7, ETHYL 4-((((3Z)-3-(3-HEPTYL-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-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]acetyl]amino]benzoate
| Molecular Formula | C29H31N3O5S2 |
|---|---|
| Molecular Weight | 565.17 g/mol |
| LogP | 5.3904 |
| Topological Polar Surface Area | 96.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 565.17053 |
| Heavy Atoms | 39 |
| Complexity | 1322.458 |
Chemical Identifiers
| CAS Number | 617696-29-4 |
|---|---|
| SMILES | CCCCCCCN1C(=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:595144 (CAS 617696-29-4), with molecular formula C29H31N3O5S2 and molecular weight 565.17 g/mol. IUPAC: ethyl 4-[[2-[(3Z)-3-(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]acetyl]amino]benzoate.
Chemical Property Profile of RefChem:595144
Property Insights of RefChem:595144
The XLogP value of 5.3904 indicates that RefChem:595144 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:595144. Following Lipinski's Rule of Five, RefChem:595144 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:595144?
The CAS number of RefChem:595144 is 617696-29-4.
What is the molecular formula of RefChem:595144?
The molecular formula of RefChem:595144 is C29H31N3O5S2.
What is the molecular weight of RefChem:595144?
The molecular weight of RefChem:595144 is 565.17 g/mol.
Where can I buy RefChem:595144?
You can request a quote for RefChem:595144 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:595144?
Yes, KEHONG BIO provides custom synthesis services for RefChem:595144 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.