IFLab1_005636
TL;DR: IFLab1_005636 (CAS 617697-73-1) is a chemical compound with molecular formula C18H17BrN2O2S2 and molecular weight 435.99 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)-3-cyclopentyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: IFLab1_005636, IDI1_011039, 5-(5-Bromo-1-ethyl-2-oxoindolin-3-ylidene)-3-cyclopentyl-2-thioxothiazolidin-4-one, F1423-1381, (Z)-5-(5-bromo-1-ethyl-2-oxoindolin-3-ylidene)-3-cyclopentyl-2-thioxothiazolidin-4-one
| Molecular Formula | C18H17BrN2O2S2 |
|---|---|
| Molecular Weight | 435.99 g/mol |
| LogP | 4.3296 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 435.9915 |
| Heavy Atoms | 25 |
| Complexity | 830.365 |
Chemical Identifiers
| CAS Number | 617697-73-1 |
|---|---|
| SMILES | CCN1C2=C(C=C(C=C2)Br)/C(=C/3\C(=O)N(C(=S)S3)C4CCCC4)/C1=O |
Product Overview
IFLab1_005636 (CAS 617697-73-1), with molecular formula C18H17BrN2O2S2 and molecular weight 435.99 g/mol. IUPAC: (5Z)-5-(5-bromo-1-ethyl-2-oxoindol-3-ylidene)-3-cyclopentyl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of IFLab1_005636
Property Insights of IFLab1_005636
The XLogP value of 4.3296 indicates that IFLab1_005636 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.62 Ų, IFLab1_005636 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IFLab1_005636 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 IFLab1_005636?
The CAS number of IFLab1_005636 is 617697-73-1.
What is the molecular formula of IFLab1_005636?
The molecular formula of IFLab1_005636 is C18H17BrN2O2S2.
What is the molecular weight of IFLab1_005636?
The molecular weight of IFLab1_005636 is 435.99 g/mol.
Where can I buy IFLab1_005636?
You can request a quote for IFLab1_005636 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_005636?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_005636 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.