RefChem:595139
TL;DR: RefChem:595139 (CAS 617696-59-0) is a chemical compound with molecular formula C31H27N3O6S2 and molecular weight 601.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[(3Z)-3-[3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]acetyl]amino]benzoate
Also Known As: SALOR-INT L440531-1EA, ETHYL 4-{[((3Z)-3-{3-[2-(4-METHOXYPHENYL)ETHYL]-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE}-2-OXO-2,3-DIHYDRO-1H-INDOL-1-YL)ACETYL]AMINO}BENZOATE, 644-576-7, ETHYL 4-((((3Z)-3-(3-(2-(4-METHOXYPHENYL)ETHYL)-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-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}-2-oxo-2,3-dihydro-1H-indol-1-yl]acetyl}amino)benzoate
| Molecular Formula | C31H27N3O6S2 |
|---|---|
| Molecular Weight | 601.13 g/mol |
| LogP | 4.6713 |
| Topological Polar Surface Area | 105.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 601.13416 |
| Heavy Atoms | 42 |
| Complexity | 1601.602 |
Chemical Identifiers
| CAS Number | 617696-59-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3/C(=C/4\C(=O)N(C(=S)S4)CCC5=CC=C(C=C5)OC)/C2=O |
Product Overview
RefChem:595139 (CAS 617696-59-0), with molecular formula C31H27N3O6S2 and molecular weight 601.13 g/mol. IUPAC: ethyl 4-[[2-[(3Z)-3-[3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]acetyl]amino]benzoate.
Chemical Property Profile of RefChem:595139
Property Insights of RefChem:595139
The XLogP value of 4.6713 indicates that RefChem:595139 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.25 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:595139. Following Lipinski's Rule of Five, RefChem:595139 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 RefChem:595139?
The CAS number of RefChem:595139 is 617696-59-0.
What is the molecular formula of RefChem:595139?
The molecular formula of RefChem:595139 is C31H27N3O6S2.
What is the molecular weight of RefChem:595139?
The molecular weight of RefChem:595139 is 601.13 g/mol.
Where can I buy RefChem:595139?
You can request a quote for RefChem:595139 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:595139?
Yes, KEHONG BIO provides custom synthesis services for RefChem:595139 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.