RefChem:509659
TL;DR: RefChem:509659 (CAS 618075-45-9) is a chemical compound with molecular formula C23H18ClN3O5S2 and molecular weight 515.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5Z)-5-[1-[2-(4-chloroanilino)-2-oxoethyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
Also Known As: 4-((5Z)-5-{1-[2-(4-CHLOROANILINO)-2-OXOETHYL]-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE}-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL)BUTANOIC ACID, 4-((5Z)-5-(1-(2-(4-CHLOROANILINO)-2-OXOETHYL)-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL)BUTANOIC ACID, 4-[(5Z)-5-(1-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid, 4-[(5Z)-5-[1-[2-(4-chloroanilino)-2-oxoethyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid, 637-768-7
| Molecular Formula | C23H18ClN3O5S2 |
|---|---|
| Molecular Weight | 515.04 g/mol |
| LogP | 3.7615 |
| Topological Polar Surface Area | 107.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 515.03766 |
| Heavy Atoms | 34 |
| Complexity | 1245.4216 |
Chemical Identifiers
| CAS Number | 618075-45-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)/C(=C/3\C(=O)N(C(=S)S3)CCCC(=O)O)/C(=O)N2CC(=O)NC4=CC=C(C=C4)Cl |
Product Overview
RefChem:509659 (CAS 618075-45-9), with molecular formula C23H18ClN3O5S2 and molecular weight 515.04 g/mol. IUPAC: 4-[(5Z)-5-[1-[2-(4-chloroanilino)-2-oxoethyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid.
Chemical Property Profile of RefChem:509659
Property Insights of RefChem:509659
The XLogP value of 3.7615 indicates that RefChem:509659 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.02 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:509659. Following Lipinski's Rule of Five, RefChem:509659 has 2 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:509659?
The CAS number of RefChem:509659 is 618075-45-9.
What is the molecular formula of RefChem:509659?
The molecular formula of RefChem:509659 is C23H18ClN3O5S2.
What is the molecular weight of RefChem:509659?
The molecular weight of RefChem:509659 is 515.04 g/mol.
Where can I buy RefChem:509659?
You can request a quote for RefChem:509659 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:509659?
Yes, KEHONG BIO provides custom synthesis services for RefChem:509659 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.