RefChem:401661
TL;DR: RefChem:401661 (CAS 618077-67-1) is a chemical compound with molecular formula C22H19BrN2O2S2 and molecular weight 486.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-benzyl-5-(5-bromo-1-butyl-2-oxoindol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 3-Benzyl-5-(5-bromo-1-butyl-2-oxoindolin-3-ylidene)-2-thioxothiazolidin-4-one, (3Z)-3-(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-5-bromo-1-butyl-1,3-dihydro-2H-indol-2-one, 3-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-5-bromo-1-butyl-indol-2-one, (5Z)-3-benzyl-5-(5-bromo-1-butyl-2-oxoindol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one, 645-460-9
| Molecular Formula | C22H19BrN2O2S2 |
|---|---|
| Molecular Weight | 486.01 g/mol |
| LogP | 5.3674 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 486.00714 |
| Heavy Atoms | 29 |
| Complexity | 1036.3627 |
Chemical Identifiers
| CAS Number | 618077-67-1 |
|---|---|
| SMILES | CCCCN1C2=C(C=C(C=C2)Br)/C(=C/3\C(=O)N(C(=S)S3)CC4=CC=CC=C4)/C1=O |
Product Overview
RefChem:401661 (CAS 618077-67-1), with molecular formula C22H19BrN2O2S2 and molecular weight 486.01 g/mol. IUPAC: (5Z)-3-benzyl-5-(5-bromo-1-butyl-2-oxoindol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of RefChem:401661
Property Insights of RefChem:401661
The XLogP value of 5.3674 indicates that RefChem:401661 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.62 Ų, RefChem:401661 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:401661 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:401661?
The CAS number of RefChem:401661 is 618077-67-1.
What is the molecular formula of RefChem:401661?
The molecular formula of RefChem:401661 is C22H19BrN2O2S2.
What is the molecular weight of RefChem:401661?
The molecular weight of RefChem:401661 is 486.01 g/mol.
Where can I buy RefChem:401661?
You can request a quote for RefChem:401661 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:401661?
Yes, KEHONG BIO provides custom synthesis services for RefChem:401661 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.