RefChem:401722
TL;DR: RefChem:401722 (CAS 618073-44-2) is a chemical compound with molecular formula C21H25BrN2O3S2 and molecular weight 496.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-(5-bromo-2-oxo-1-pentylindol-3-ylidene)-3-(3-ethoxypropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 5-(5-Bromo-2-oxo-1-pentylindolin-3-ylidene)-3-(3-ethoxypropyl)-2-thioxothiazolidin-4-one, (3Z)-5-bromo-3-[3-(3-ethoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-1-pentyl-1,3-dihydro-2H-indol-2-one, (3Z)-5-Bromo-3-(3-(3-ethoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-1-pentyl-1,3-dihydro-2H-indol-2-one, (5Z)-5-(5-bromo-2-oxo-1-pentylindol-3-ylidene)-3-(3-ethoxypropyl)-2-sulfanylidene-1,3-thiazolidin-4-one, 645-685-2
| Molecular Formula | C21H25BrN2O3S2 |
|---|---|
| Molecular Weight | 496.05 g/mol |
| LogP | 4.9839 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 496.049 |
| Heavy Atoms | 29 |
| Complexity | 856.328 |
Chemical Identifiers
| CAS Number | 618073-44-2 |
|---|---|
| SMILES | CCCCCN1C2=C(C=C(C=C2)Br)/C(=C/3\C(=O)N(C(=S)S3)CCCOCC)/C1=O |
Product Overview
RefChem:401722 (CAS 618073-44-2), with molecular formula C21H25BrN2O3S2 and molecular weight 496.05 g/mol. IUPAC: (5Z)-5-(5-bromo-2-oxo-1-pentylindol-3-ylidene)-3-(3-ethoxypropyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of RefChem:401722
Property Insights of RefChem:401722
The XLogP value of 4.9839 indicates that RefChem:401722 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.85 Ų, RefChem:401722 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:401722 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:401722?
The CAS number of RefChem:401722 is 618073-44-2.
What is the molecular formula of RefChem:401722?
The molecular formula of RefChem:401722 is C21H25BrN2O3S2.
What is the molecular weight of RefChem:401722?
The molecular weight of RefChem:401722 is 496.05 g/mol.
Where can I buy RefChem:401722?
You can request a quote for RefChem:401722 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:401722?
Yes, KEHONG BIO provides custom synthesis services for RefChem:401722 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.