RefChem:401708
TL;DR: RefChem:401708 (CAS 617698-19-8) is a chemical compound with molecular formula C13H9BrN2O2S2 and molecular weight 367.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-(5-bromo-1-ethyl-2-oxoindol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: IDI1_011083, AB00674344-01, (3Z)-5-bromo-1-ethyl-3-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-1,3-dihydro-2H-indol-2-one, 5-(5-Bromo-1-ethyl-2-oxoindolin-3-ylidene)-2-thioxothiazolidin-4-one, F1423-1434
| Molecular Formula | C13H9BrN2O2S2 |
|---|---|
| Molecular Weight | 367.93 g/mol |
| LogP | 2.6746 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 367.9289 |
| Heavy Atoms | 20 |
| Complexity | 699.61163 |
Chemical Identifiers
| CAS Number | 617698-19-8 |
|---|---|
| SMILES | CCN1C2=C(C=C(C=C2)Br)/C(=C/3\C(=O)NC(=S)S3)/C1=O |
Product Overview
RefChem:401708 (CAS 617698-19-8), with molecular formula C13H9BrN2O2S2 and molecular weight 367.93 g/mol. IUPAC: (5Z)-5-(5-bromo-1-ethyl-2-oxoindol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of RefChem:401708
Property Insights of RefChem:401708
The XLogP value of 2.6746 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:401708. With a topological polar surface area (TPSA) of 49.41 Ų, RefChem:401708 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:401708 has 1 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:401708?
The CAS number of RefChem:401708 is 617698-19-8.
What is the molecular formula of RefChem:401708?
The molecular formula of RefChem:401708 is C13H9BrN2O2S2.
What is the molecular weight of RefChem:401708?
The molecular weight of RefChem:401708 is 367.93 g/mol.
Where can I buy RefChem:401708?
You can request a quote for RefChem:401708 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:401708?
Yes, KEHONG BIO provides custom synthesis services for RefChem:401708 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.