RefChem:401688
TL;DR: RefChem:401688 (CAS 618077-65-9) is a chemical compound with molecular formula C23H21BrN2O3S2 and molecular weight 516.02 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-[(4-methoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 5-(5-Bromo-1-butyl-2-oxoindolin-3-ylidene)-3-(4-methoxybenzyl)-2-thioxothiazolidin-4-one, (3Z)-5-bromo-1-butyl-3-[3-(4-methoxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-1,3-dihydro-2H-indol-2-one, (3Z)-5-Bromo-1-butyl-3-(3-(4-methoxybenzyl)-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-[(4-methoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one, 645-461-4
| Molecular Formula | C23H21BrN2O3S2 |
|---|---|
| Molecular Weight | 516.02 g/mol |
| LogP | 5.376 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 516.0177 |
| Heavy Atoms | 31 |
| Complexity | 1098.5005 |
Chemical Identifiers
| CAS Number | 618077-65-9 |
|---|---|
| SMILES | CCCCN1C2=C(C=C(C=C2)Br)/C(=C/3\C(=O)N(C(=S)S3)CC4=CC=C(C=C4)OC)/C1=O |
Product Overview
RefChem:401688 (CAS 618077-65-9), with molecular formula C23H21BrN2O3S2 and molecular weight 516.02 g/mol. IUPAC: (5Z)-5-(5-bromo-1-butyl-2-oxoindol-3-ylidene)-3-[(4-methoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of RefChem:401688
Property Insights of RefChem:401688
The XLogP value of 5.376 indicates that RefChem:401688 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:401688 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:401688 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:401688?
The CAS number of RefChem:401688 is 618077-65-9.
What is the molecular formula of RefChem:401688?
The molecular formula of RefChem:401688 is C23H21BrN2O3S2.
What is the molecular weight of RefChem:401688?
The molecular weight of RefChem:401688 is 516.02 g/mol.
Where can I buy RefChem:401688?
You can request a quote for RefChem:401688 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:401688?
Yes, KEHONG BIO provides custom synthesis services for RefChem:401688 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.