RefChem:401739
TL;DR: RefChem:401739 (CAS 617698-15-4) is a chemical compound with molecular formula C18H19BrN2O2S2 and molecular weight 438.01 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-propylindol-3-ylidene)-3-butan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 5-(5-Bromo-2-oxo-1-propylindolin-3-ylidene)-3-(sec-butyl)-2-thioxothiazolidin-4-one, (3Z)-5-BROMO-3-(3-SEC-BUTYL-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)-1-PROPYL-1,3-DIHYDRO-2H-INDOL-2-ONE, (3Z)-5-bromo-3-[3-(butan-2-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-1-propyl-1,3-dihydro-2H-indol-2-one, (5Z)-5-(5-bromo-2-oxo-1-propylindol-3-ylidene)-3-butan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one, 5-bromo-3-(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1-propyl-indol-2-one
| Molecular Formula | C18H19BrN2O2S2 |
|---|---|
| Molecular Weight | 438.01 g/mol |
| LogP | 4.5756 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 438.00714 |
| Heavy Atoms | 25 |
| Complexity | 806.26587 |
Chemical Identifiers
| CAS Number | 617698-15-4 |
|---|---|
| SMILES | CCCN1C2=C(C=C(C=C2)Br)/C(=C/3\C(=O)N(C(=S)S3)C(C)CC)/C1=O |
Product Overview
RefChem:401739 (CAS 617698-15-4), with molecular formula C18H19BrN2O2S2 and molecular weight 438.01 g/mol. IUPAC: (5Z)-5-(5-bromo-2-oxo-1-propylindol-3-ylidene)-3-butan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of RefChem:401739
Property Insights of RefChem:401739
The XLogP value of 4.5756 indicates that RefChem:401739 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:401739 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:401739 has 0 hydrogen bond donor(s) and 4 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:401739?
The CAS number of RefChem:401739 is 617698-15-4.
What is the molecular formula of RefChem:401739?
The molecular formula of RefChem:401739 is C18H19BrN2O2S2.
What is the molecular weight of RefChem:401739?
The molecular weight of RefChem:401739 is 438.01 g/mol.
Where can I buy RefChem:401739?
You can request a quote for RefChem:401739 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:401739?
Yes, KEHONG BIO provides custom synthesis services for RefChem:401739 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.