RefChem:401685
TL;DR: RefChem:401685 (CAS 618077-73-9) is a chemical compound with molecular formula C20H17BrN2O3S2 and molecular weight 475.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-(5-bromo-1-butyl-2-oxoindol-3-ylidene)-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 5-(5-Bromo-1-butyl-2-oxoindolin-3-ylidene)-3-(furan-2-ylmethyl)-2-thioxothiazolidin-4-one, (3Z)-5-BROMO-1-BUTYL-3-[3-(2-FURYLMETHYL)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE]-1,3-DIHYDRO-2H-INDOL-2-ONE, (3Z)-5-Bromo-1-butyl-3-(3-(2-furylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-1,3-dihydro-2H-indol-2-one, (3Z)-5-bromo-1-butyl-3-[3-(furan-2-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-1,3-dihydro-2H-indol-2-one, (5Z)-5-(5-bromo-1-butyl-2-oxoindol-3-ylidene)-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C20H17BrN2O3S2 |
|---|---|
| Molecular Weight | 475.99 g/mol |
| LogP | 4.9604 |
| Topological Polar Surface Area | 53.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 475.9864 |
| Heavy Atoms | 28 |
| Complexity | 1000.88464 |
Chemical Identifiers
| CAS Number | 618077-73-9 |
|---|---|
| SMILES | CCCCN1C2=C(C=C(C=C2)Br)/C(=C/3\C(=O)N(C(=S)S3)CC4=CC=CO4)/C1=O |
Product Overview
RefChem:401685 (CAS 618077-73-9), with molecular formula C20H17BrN2O3S2 and molecular weight 475.99 g/mol. IUPAC: (5Z)-5-(5-bromo-1-butyl-2-oxoindol-3-ylidene)-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of RefChem:401685
Property Insights of RefChem:401685
The XLogP value of 4.9604 indicates that RefChem:401685 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.76 Ų, RefChem:401685 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:401685 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:401685?
The CAS number of RefChem:401685 is 618077-73-9.
What is the molecular formula of RefChem:401685?
The molecular formula of RefChem:401685 is C20H17BrN2O3S2.
What is the molecular weight of RefChem:401685?
The molecular weight of RefChem:401685 is 475.99 g/mol.
Where can I buy RefChem:401685?
You can request a quote for RefChem:401685 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:401685?
Yes, KEHONG BIO provides custom synthesis services for RefChem:401685 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.